SCHEMBL31275

SCHEMBL31275

Cc1ccc2c[nH]nc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2A6 P11509 3/20 0.46
ALDH1A1 P00352 6/20 0.45
NQO2 P16083 1/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NCK1 P16333 1/20 0.41
BACE1 P56817 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL12653740 0.82 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1NQO2POLB
SCHEMBL18003766 0.77 KDM4E (0.50) CYP1A2CYP2A6ALDH1A1NQO2POLB
SCHEMBL13423879 0.76 KMT2A (0.52) ALDH1A1POLBLMNATDP1KMT2A
SCHEMBL16178993 0.76 KDM4E (0.39) CYP1A2CYP2A6BACE1KMT2AKDM4E
SCHEMBL17696315 0.76 TYMS (0.37)
SCHEMBL25207842 0.76 BACE1 (0.45) CYP1A2CYP2A6ALDH1A1BACE1KMT2A
SCHEMBL16523332 0.76 DYRK1A (0.48) CYP1A2CYP2A6ALDH1A1POLBLMNA
SCHEMBL30758869 0.76 ALDH1A1 (0.48) CYP1A2ALDH1A1LMNATDP1KMT2A
SCHEMBL27348359 0.76
SCHEMBL24051978 0.75 EGFR (0.47) CYP1A2POLBKMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 WO disclosed
WO-2023225244-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2023-11-23 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed
WO-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023049218-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-03-30 WO disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 WO disclosed
WO-2014139465-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND THEIR USAGE HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
WO-2014139145-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 WO disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 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 (2 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-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R CYP1A2 2467/4885CYP2A6 1981/4885ALDH1A1 3975/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR CYP1A2 73/4885CYP2A6 442/4885ALDH1A1 1755/4885

“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.