SCHEMBL5007629

SCHEMBL5007629

Nc1ccc(OC2CCNCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.49
TDO2 P48775 1/20 0.48
HRH1 P35367 3/20 0.47
PRKCZ Q05513 2/20 0.44
IKBKB O14920 2/20 0.42
PAICS P22234 1/20 0.42
EP300 Q09472 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
DYRK1A Q13627 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CHUK O15111 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30748858 0.88 KDM4E (0.44) ROCK1TDO2MEN1KMT2AKDM4E
SCHEMBL2228866 0.84 KDM4E (0.42) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL30748953 0.84 LOX (0.44) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL1749039 0.84 LOX (0.44) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL30748869 0.83 LOX (0.46) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL12184685 0.83 KDM4E (0.41) ROCK1MEN1KMT2AKDM4EPOLB
SCHEMBL3651197 0.83 LOX (0.46) MEN1KMT2AKDM4EPOLBRAB9A
SCHEMBL18423522 0.82 TDO2 (0.47) ROCK1TDO2HRH1IKBKBPAICS
SCHEMBL19023755 0.81 HRH1 (0.49) ROCK1TDO2HRH1PRKCZIKBKB
SCHEMBL3396466 0.80 PIK3CA (0.41) MEN1KMT2AKDM4EALOX5APFEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658986-A Preparation method of AR antagonist TRC-253 湖南师范大学 2024-03-08 CN claimed
CN-117658986-A Preparation method of AR antagonist TRC-253 湖南师范大学 2024-03-08 CN disclosed
CN-117658986-A Preparation method of AR antagonist TRC-253 湖南师范大学 2024-03-08 CN disclosed
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 ROCK1 574/4885TDO2 690/4885HRH1 3766/4885

“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.