SCHEMBL63354

SCHEMBL63354

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc3c(NCc4ccco4)ncnc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.61
CCNB2 O95067 3/20 0.61
CCNB1 P14635 3/20 0.61
CCNB3 Q8WWL7 3/20 0.61
HTT P42858 5/20 0.56
TP53 P04637 4/20 0.52
MAPK1 P28482 4/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
ALOX15 P16050 2/20 0.52
HPGD P15428 2/20 0.52
MAPK10 P53779 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 4/20 0.52
ADORA3 P0DMS8 3/20 0.52
PAX8 Q06710 2/20 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
SCHEMBL20119629 0.79 CDK1 (0.72) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL31711721 0.79 HTT (0.75) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL4599282 0.78 CCNB2 (0.36) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL20097160 0.77 CCNB2 (0.69) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL21311333 0.76 CCNB2 (0.65) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL20097047 0.76 CCNB2 (0.65) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL20097149 0.76 CCNB2 (1.00) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL457250 0.75 HTT (0.67) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL20119633 0.75 HTT (0.67) CDK1CCNB2CCNB1CCNB3HTT
SCHEMBL457947 0.75 HTT (0.70) CDK1CCNB2CCNB1CCNB3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 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 (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-20090258887-A1 Novel Carboxylic Acid Derivatives AADAC, ALDH7A1, DDC CDK1 4565/4885CCNB2 3257/4885CCNB1 3654/4885
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES AADAC, ALDH7A1, ALDH18A1 CDK1 4460/4885CCNB2 3251/4885CCNB1 3651/4885

“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.