SCHEMBL762341

SCHEMBL762341

CC(C)(C)c1cc2ccccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2A6 P11509 2/20 0.54
PDPK1 O15530 1/20 0.48
SSTR4 P31391 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
HTR3A P46098 1/20 0.41
PLAU P00749 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BTK Q06187 1/20 0.36
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT3 P36888 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26042691 0.83 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1SSTR4NPC1
SCHEMBL4372845 0.83 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1SSTR4NPC1
SCHEMBL11924585 0.80 CYP1A2 (0.47) CYP1A2CYP2A6PDPK1SSTR4NPC1
SCHEMBL5720524 0.80 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1SSTR4NPC1
SCHEMBL27097323 0.80 MAPT (0.64) HTR3A
SCHEMBL27097163 0.79 CYP1A2 (0.52) CYP1A2CYP2A6NPC1RAB9ATDP1
SCHEMBL10220695 0.79 CYP1A2 (0.50) CYP1A2CYP2A6NPC1RAB9ATDP1
SCHEMBL26543894 0.79 ALDH1A1 (0.47) CYP1A2CYP2A6NPC1RAB9ATDP1
SCHEMBL26543381 0.79 ALDH1A1 (0.47) CYP1A2CYP2A6NPC1RAB9ATDP1
SCHEMBL31391610 0.78 CYP1A2 (0.48) CYP1A2CYP2A6PDPK1SSTR4NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 363 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20070299059-A1 Compostions and methods relating to novel compounds and targets thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-12-27 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-7276348-B2 Compositions and methods relating to F1F0-ATPase inhibitors and targets thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-10-02 US disclosed
US-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-06-14 US disclosed
US-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-06-14 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof BAX, BAD, GABRB3 CYP1A2 1408/4885CYP2A6 1260/4885PDPK1 142/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP1A2 424/4885CYP2A6 627/4885PDPK1 2128/4885
US-20070299059-A1 Compostions and methods relating to novel compounds and targets thereof CASP1, BAX, BAD CYP1A2 676/4885CYP2A6 1205/4885PDPK1 916/4885
US-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP CYP1A2 1540/4885CYP2A6 2483/4885PDPK1 2382/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CYP1A2 2498/4885CYP2A6 1700/4885PDPK1 2562/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 CYP1A2 371/4885CYP2A6 553/4885PDPK1 1891/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP1A2 634/4885CYP2A6 977/4885PDPK1 1747/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 CYP1A2 48/4885CYP2A6 49/4885PDPK1 2692/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CYP1A2 4278/4885CYP2A6 4174/4885PDPK1 423/4885
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 CYP1A2 1332/4885CYP2A6 1732/4885PDPK1 1565/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CYP1A2 3682/4885CYP2A6 3185/4885PDPK1 2626/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 CYP1A2 2255/4885CYP2A6 1910/4885PDPK1 3289/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 CYP1A2 3593/4885CYP2A6 3209/4885PDPK1 3075/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 CYP1A2 1791/4885CYP2A6 2566/4885PDPK1 3284/4885
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 CYP1A2 801/4885CYP2A6 1093/4885PDPK1 1419/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.