SCHEMBL803131

SCHEMBL803131

CC(C)(C)c1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
SSTR4 P31391 3/20 0.46
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
CYP1A2 P05177 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL761999 0.86 MAPT (0.52) NCF1SSTR4MAPTKDM4EMEN1
SCHEMBL264501 0.84 NCF1 (0.52) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL26294685 0.84 NCF1 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL11904335 0.84 NCF1 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL16252851 0.84 NCF1 (0.52) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL7356796 0.84 NCF1 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
Hydrochloric Acid SCHEMBL7348696 0.82 NCF1 (0.46) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL19053405 0.82 LOXL2 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL8060951 0.81 NCF1 (0.48) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL29393436 0.81 NCF1 (0.44) NCF1LOXL2SSTR4HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707915-B Quinoline material containing benzofuran structure and preparation method and application thereof 烟台九目化学股份有限公司 2022-03-25 CN claimed
CN-112939857-A Synthetic method of alkylated quinoline compound 中国科学院大连化学物理研究所 2021-06-11 CN claimed
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-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-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-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
US-4382931-A 3'-Substituted quinolinium cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (9 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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A NCF1 2032/4885LOXL2 2026/4885SSTR4 2111/4885
US-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 NCF1 2940/4885LOXL2 2674/4885SSTR4 2395/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 NCF1 4694/4885LOXL2 3185/4885SSTR4 691/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 NCF1 820/4885LOXL2 3065/4885SSTR4 2143/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 NCF1 2481/4885LOXL2 4178/4885SSTR4 2060/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NCF1 2433/4885LOXL2 1735/4885SSTR4 300/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 NCF1 363/4885LOXL2 4432/4885SSTR4 3394/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 NCF1 1557/4885LOXL2 2605/4885SSTR4 4618/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NCF1 966/4885LOXL2 1304/4885SSTR4 3206/4885

“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.