SCHEMBL558390

SCHEMBL558390

[c]1nn[nH]c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38
TTK P33981 1/20 0.38
MAPK10 P53779 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SCN4A P35499 1/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAP2K4 P45985 1/20 0.35
ALOX15 P16050 1/20 0.34
FGFR1 P11362 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4447770 0.74 DCUN1D1 (0.50) ALDH1A1NPC1GAAHPGDDCUN1D1
SCHEMBL2819855 0.71 KDM4E (0.48) RAB9AALDH1A1NPC1POLBKDM4E
SCHEMBL2637845 0.67 PDE10A (0.43) RAB9AALDH1A1NPC1POLBKDM4E
SCHEMBL4776763 0.67 POLB (0.43) RAB9AALDH1A1NPC1POLBKDM4E
SCHEMBL5808868 0.65 KDM4E (0.41) ALDH1A1POLBKDM4EGAAHPGD
SCHEMBL1119445 0.64 CYP3A4 (0.39) RAB9AALDH1A1NPC1KDM4EIDO1
Biphenyl SCHEMBL5068276 0.61 ALDH1A1 (0.90) RAB9AALDH1A1NPC1ATMMAPK1
SCHEMBL22987201 0.57 L3MBTL1 (0.56) RAB9AALDH1A1NPC1POLBKDM4E
Anthracene SCHEMBL295636 0.57 ALDH1A1 (0.64) RAB9AALDH1A1NPC1KDM4EHPGD
Anthracene SCHEMBL3044541 0.57 ALDH1A1 (0.64) RAB9AALDH1A1NPC1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US claimed
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 CN claimed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP claimed
EP-2581365-B1 Heterocyclic compound, organic light-emitting diode comprising the heterocyclic compound, and flat panel display device comprising the organic light-emitting diode SAMSUNG DISPLAY CO LTD (KR) 2019-10-16 EP claimed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US claimed
US-20180305391-A1 COFACTOR ANALOGS AS METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-10-25 US claimed
CN-107531690-A The amines of 4,5,6,7 tetrahydrochysene 1H pyrazolos [4,3 c] pyridine 3 as CBP and/or EP300 inhibitor 基因泰克公司 2018-01-02 CN claimed
WO-2017070464-A1 COFACTOR ANALOGS AS METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-04-27 WO claimed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US claimed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US claimed
JP-2003503389-A 2003-01-28 JP claimed
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US claimed
EP-1194409-A1 PYRAZOLIDINOL COMPOUNDS A-Viral AS (NO) 2002-04-10 EP claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
WO-2001000585-A1 PYRAZOLIDINOL COMPOUNDS A-VIRAL AS (NO) 2001-01-04 WO claimed
JP-3110467-B2 2000-11-20 JP claimed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP claimed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO claimed
US-5269815-A Process for the fluorescent whitening of hydrophobic textile material with disperse fluorescent whitening agents from super-critical carbon dioxide CIBA-GEIGY CORPORATION (US) 1993-12-14 US claimed
EP-0543779-A1 Process for optical bleaching of hydrophobic textile material with disperse optical brightness in supercritical CO2 CIBA-GEIGY AG (CH) 1993-05-26 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20180305391-A1 COFACTOR ANALOGS AS METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER NNMT, BHMT, MAT2B RAB9A 2425/4885ALDH1A1 411/4885NPC1 2482/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 RAB9A 1739/4885ALDH1A1 4592/4885NPC1 3497/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 RAB9A 3104/4885ALDH1A1 2346/4885NPC1 2617/4885

“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.