SCHEMBL526424

SCHEMBL526424

c1ccc(NC2CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
MAPK10 P53779 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.47
GAA P10253 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HCAR3 P49019 1/20 0.46
KDM4E B2RXH2 2/20 0.45
FLT3 P36888 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
GAS6 Q14393 1/20 0.45

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
Hydrochloric Acid SCHEMBL1919379 0.98 NOS2 (0.54) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL16548498 0.92 ALDH1A1 (0.58) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL7919601 0.92 ALDH1A1 (0.54) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL17730328 0.91 MERTK (0.55) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL31690862 0.91 NOS2 (0.52) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL25091032 0.91 NOS2 (0.52) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL29540429 0.91 NOS2 (0.49) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL31690847 0.91 MERTK (0.55) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL17730325 0.91 MERTK (0.55) NOS2NPC1RAB9APKMALDH1A1
SCHEMBL20024991 0.91 NOS2 (0.52) NOS2NPC1RAB9APKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113856483-A High-boron-removal polyamide reverse osmosis membrane and preparation method thereof 万华化学集团股份有限公司 2021-12-31 CN claimed
CN-111892592-B JAK kinase inhibitors and uses thereof 江苏柯菲平医药股份有限公司 2023-09-19 CN disclosed
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
CN-111320624-B Triazolopyridine and imidazopyridine compounds, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-05-12 CN disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed
EP-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 EP disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
EP-2870156-B1 PYRIMIDINONE DERIVATIVES AS ANTIMALARIAL AGENTS SANOFI SA (FR) 2020-06-17 EP disclosed
EP-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 EP disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP disclosed
WO-2008115281-A2 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INC. (US) 2008-09-25 WO disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed
EP-1519936-B1 METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS (US) 2008-01-02 EP disclosed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO disclosed
CN-1280293-C Improved process for the preparation of nevirapine BOEHRINGER INGELHEIM CHEMICALS (US) 2006-10-18 CN disclosed
CN-1653065-A Improved method for making nevirapine BOEHRINGER INGELHEIM CHEMICALS (US) 2005-08-10 CN disclosed
EP-1519936-A1 IMPROVED METHOD OF MAKING NEVIRAPINE Boehringer Ingelheim Chemicals, Inc. (US) 2005-04-06 EP disclosed
WO-2004002988-A1 IMPROVED METHOD OF MAKING NEVIRAPINE BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2004-01-08 WO 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 (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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 NOS2 3791/4885NPC1 3838/4885RAB9A 1678/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 NOS2 2685/4885NPC1 1077/4885RAB9A 739/4885
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP1B1 NOS2 1916/4885NPC1 174/4885RAB9A 2976/4885

“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.