SCHEMBL1284684

SCHEMBL1284684

O=C1CCCN1c1c[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
AKR1C3 P42330 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
BRD4 O60885 1/20 0.40
BRDT Q58F21 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28505028 0.95 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL28499191 0.89 ALDH1A1 (0.38) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL42808 0.78 ALDH1A1 (0.58) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL136476 0.77 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL7466356 0.76 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL1418830 0.76 F10 (0.43)
SCHEMBL11142367 0.75 ALDH1A1 (0.74) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL2884006 0.74 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL182890 0.73 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL31297747 0.73 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US claimed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN claimed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
WO-2021067569-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2021-04-08 WO claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US claimed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
CN-114007671-B Methods and compositions for treating chronic inflammatory lesions, metaplasias, dysplasias, and cancers of epithelial tissue 休斯敦大学体系 2024-06-14 CN disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 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 (5 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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 ALDH1A1 189/4885HPGD 158/4885CYP3A4 134/4885
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 ALDH1A1 4193/4885HPGD 3196/4885CYP3A4 3289/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885HPGD 1427/4885CYP3A4 1461/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 ALDH1A1 2375/4885HPGD 1204/4885CYP3A4 4457/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885HPGD 1427/4885CYP3A4 1461/4885

“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.