SCHEMBL8664673

SCHEMBL8664673

Nc1cc2cc[nH]c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAP3K11 Q16584 2/20 0.43
CYP2C9 P11712 1/20 0.43
LRRK2 Q5S007 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
AHR P35869 3/20 0.41
NR4A2 P43354 2/20 0.41
CYP2A6 P11509 1/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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 SCHEMBL3824297 0.98 PDPK1 (0.45) PDPK1CYP3A4CYP2D6MAP3K11CYP2C9
Hydrochloric Acid SCHEMBL2369316 0.98 PDPK1 (0.45) PDPK1CYP3A4CYP2D6MAP3K11CYP2C9
Trifluoroacetic Acid SCHEMBL30678615 0.84 HDAC6 (0.46) PDPK1CYP3A4CYP2D6MAP3K11CYP2C9
SCHEMBL12276737 0.83 PDPK1 (0.47) PDPK1CYP3A4CYP2D6MAP3K11CYP2C9
SCHEMBL8296659 0.75 CYP2A6 (0.47) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL30354467 0.75 USP2 (0.50) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL587359 0.75 AHR (0.50) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL21090062 0.75 HDAC6 (0.43) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL29975686 0.75 AHR (0.50) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL14041127 0.75 GPR84 (0.52) HDAC6MAPTGPR84AHRNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-4635953-A1 PYRROLOPYRIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Iregene Therapeutics Co., Ltd (CN) 2025-10-22 EP disclosed
EP-4635954-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING Iregene Therapeutics Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
WO-2024124464-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
WO-2024124463-A1 PYRROLOPYRIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
WO-2024124463-A1 PYRROLOPYRIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
WO-2024124464-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US disclosed
CN-111205310-B Heterocyclic fused pyrimidine derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-12-19 CN disclosed
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 EP disclosed
US-9738640-B2 Substituted benzamide derivatives as in vitro MAO-B inhibitors “NTZ LAB” LTD. (BG) 2017-08-22 US disclosed
EP-2991986-B1 SUBSTITUTED BENZAMIDE DERIVATIVES AS MAO-B INHIBITORS NTZ LAB LTD (BG) 2017-03-08 EP disclosed
WO-2016155884-A1 IMIDAZOLONYL QUINOLINES AND USE THEREOF AS ATM KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-10-06 WO disclosed
US-20160152611-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AS IN VITRO MAO-B INHIBITORS "NTZ LAB" LTD. (BG) 2016-06-02 US disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
EP-2991986-A2 SUBSTITUTED BENZAMIDE DERIVATIVES AS IN VITRO MAO-B INHIBITORS "NTZ Lab" Ltd. (BG) 2016-03-09 EP disclosed
WO-2015013777-A9 SUBSTITUTED BENZAMIDE DERIVATIVES AS IN VITRO MAO-B INHIBITORS "NTZ LAB" LTD. (BG) 2015-11-19 WO disclosed
US-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 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 (1 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-20160152611-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AS IN VITRO MAO-B INHIBITORS MAOB, MAOA, AOC3 PDPK1 3295/4885CYP3A4 190/4885CYP2D6 124/4885

“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.