SCHEMBL377796

SCHEMBL377796

Cc1cc(=O)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 5/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2C19 P33261 1/20 1.00
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 6/20 0.62
HPGD P15428 5/20 0.62
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
MAPK1 P28482 1/20 0.60
GAA P10253 4/20 0.58
LMNA P02545 2/20 0.58
GLA P06280 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
TNKS O95271 1/20 0.54
ATM Q13315 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL29650180 1.00 TNKS2 (1.00) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30293259 0.98 TNKS2 (0.96) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL28133656 0.83 TNKS2 (0.70) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL17730027 0.78 CYP1A2 (0.63) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL30429924 0.78 CYP1A2 (0.63) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL1771514 0.78 CYP1A2 (0.63) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL96924 0.78 CYP1A2 (0.63) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29375943 0.78 CYP1A2 (0.63) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL12871194 0.77 HPGD (0.69) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL8986955 0.77 HPGD (0.74) TNKS2CYP1A2CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013770-A1 SUBSTITUTED 3-METHYLBENZO[D]THIAZOL-3-IUM COMPOUNDS AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-01-18 WO claimed
EP-3749647-B1 N-(5-(PHENYL)-1H-PYRAZOL-3-YL)-1H-INDOL-5-AMINE DERIVATIVES AS TNIK INHIBITORS FOR THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-09-27 EP claimed
WO-2023058725-A1 COMPOSITION AND INK COMPOSITION 住友化学株式会社 2023-04-13 WO claimed
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US claimed
EP-3749647-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2020-12-16 EP claimed
WO-2019156438-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-15 WO claimed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP claimed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US claimed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 US claimed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 US claimed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP claimed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US claimed
JP-2006520397-A 2006-09-07 JP claimed
EP-1613625-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP claimed
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US claimed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US claimed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US claimed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP claimed
US-3979320-A Liquid crystal composition HODOGAYA CHEMICAL CO., LTD. (JA) 1976-09-07 US 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 (7 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 TNKS2 4471/4885CYP1A2 1641/4885CYP2C19 1654/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 TNKS2 3271/4885CYP1A2 203/4885CYP2C19 134/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 TNKS2 3271/4885CYP1A2 203/4885CYP2C19 134/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 TNKS2 3271/4885CYP1A2 203/4885CYP2C19 134/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 TNKS2 3271/4885CYP1A2 203/4885CYP2C19 134/4885
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK TNKS2 6/4885CYP1A2 4554/4885CYP2C19 3884/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 TNKS2 3628/4885CYP1A2 828/4885CYP2C19 560/4885

“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.