SCHEMBL4862787

SCHEMBL4862787

Cc1ccc(-c2c[nH]cn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
TDO2 P48775 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
ELANE P08246 1/20 0.37
PDE10A Q9Y233 1/20 0.36
PTGS2 P35354 7/20 0.36
MAPT P10636 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3CD O00329 1/20 0.34

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 SCHEMBL15367017 0.98 HPGDS (0.43) HPGDSTDO2NPC1PKMRAB9A
SCHEMBL23124011 0.78 CYP19A1 (0.40) CHRNB2CHRNA4
SCHEMBL13851861 0.78
SCHEMBL5478060 0.78 METAP2 (0.44) HPGDSNPC1PKMRAB9AMAPK1
SCHEMBL4865443 0.77 MAPT (0.45) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4868679 0.77 PIK3CD (0.46) NPC1RAB9AMAPK1CHRNB2CHRNB4
SCHEMBL20054187 0.77 AKT1 (0.30)
SCHEMBL4866869 0.77 MKNK1 (0.47) TDO2MAPK1MAPT
SCHEMBL23124187 0.77 CHRNA7 (0.31) CHRNA7SYK
SCHEMBL23124183 0.74 MAPT (0.32) MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
EP-4031531-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055612-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
EP-2662357-B1 BICYCLIC COMPOUNDS OR SALTS THEREOF FOR USE IN THE TREATMENT OF CANCER TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-03 EP disclosed
US-8912181-B2 Bicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-12-16 US disclosed
EP-2662357-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2013-11-13 EP disclosed
US-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-11-07 US disclosed
CN-103313970-A Novel bicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO LTD 2013-09-18 CN disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (6 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD HPGDS 254/4885TDO2 2369/4885NPC1 931/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL HPGDS 1112/4885TDO2 3773/4885NPC1 67/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI HPGDS 374/4885TDO2 2376/4885NPC1 550/4885
US-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P HPGDS 484/4885TDO2 3816/4885NPC1 1614/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 HPGDS 3086/4885TDO2 1989/4885NPC1 3167/4885
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 HPGDS 1790/4885TDO2 3269/4885NPC1 41/4885

“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.