SCHEMBL418110

SCHEMBL418110

CC(C)(C)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
TRPV1 Q8NER1 1/20 0.54
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
MGAM O43451 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HTR3A P46098 1/20 0.44
CYP2A6 P11509 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.43
BIRC5 O15392 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABL1 P00519 1/20 0.41
GPR3 P46089 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL18781586 0.85 CYP1A2 (0.53) CYP1A2TRPV1PDGFRBPDGFRAMGAM
SCHEMBL28087554 0.85 CYP1A2 (0.53) CYP1A2TRPV1PDGFRBPDGFRAMGAM
SCHEMBL24604914 0.84 MAPT (0.45) CYP1A2TRPV1PDGFRBPDGFRAALDH1A1
SCHEMBL22023686 0.82 CYP1A2 (0.50) CYP1A2TRPV1PDGFRBPDGFRAMGAM
SCHEMBL2633082 0.82 CYP1A2 (0.50) CYP1A2TRPV1PDGFRBPDGFRAMGAM
SCHEMBL27536533 0.82 CYP1A2 (0.53) CYP1A2TRPV1PDGFRBPDGFRAMGAM
SCHEMBL4548632 0.82 SCN10A (0.42) CYP1A2TRPV1ALDH1A1MAPTHPGD
SCHEMBL29378132 0.80 PDGFRB (0.60) CYP1A2TRPV1PDGFRBPDGFRACYP2A6
SCHEMBL12187804 0.80 CYP1A2 (0.49) CYP1A2TRPV1PDGFRBPDGFRAMGAM
SCHEMBL1695518 0.80 TRPV1 (0.40) CYP1A2TRPV1ALDH1A1MAPTHPGD

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 670 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-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 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-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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 (13 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CYP1A2 827/4885TRPV1 2312/4885PDGFRB 2689/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 CYP1A2 380/4885TRPV1 3623/4885PDGFRB 3217/4885
US-20070135418-A1 Compositions and methods relating to novel compounds and targets thereof BAX, BAD, GABRB3 CYP1A2 1408/4885TRPV1 323/4885PDGFRB 1366/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A CYP1A2 298/4885TRPV1 215/4885PDGFRB 664/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 CYP1A2 2627/4885TRPV1 4289/4885PDGFRB 31/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3324/4885TRPV1 4248/4885PDGFRB 3830/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 CYP1A2 398/4885TRPV1 2815/4885PDGFRB 4229/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 CYP1A2 48/4885TRPV1 559/4885PDGFRB 3966/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CYP1A2 211/4885TRPV1 5/4885PDGFRB 397/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CYP1A2 50/4885TRPV1 827/4885PDGFRB 3336/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 CYP1A2 1791/4885TRPV1 4789/4885PDGFRB 3396/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CYP1A2 486/4885TRPV1 131/4885PDGFRB 424/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP1A2 4271/4885TRPV1 4779/4885PDGFRB 4632/4885

“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.