SCHEMBL5423913

SCHEMBL5423913

CCc1ccc(O)c(-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc(N)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.45
CDK2 P24941 6/20 0.45
PRMT5 O14744 2/20 0.44
TRPV3 Q8NET8 1/20 0.42
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
PBRM1 Q86U86 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
MAP3K12 Q12852 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL5427237 0.87 SMARCA2 (0.53) CDK1CDK2PRMT5TRPV3ALOX5AP
SCHEMBL5430325 0.86 CDK1 (0.45) CDK1CDK2PRMT5TRPV3ALOX5AP
SCHEMBL5427559 0.84 CDK1 (0.44) CDK1CDK2PRMT5TRPV3ALOX5AP
SCHEMBL5718732 0.83 CDK1 (0.42) CDK1CDK2PRMT5TRPV3ALOX5AP
SCHEMBL5422694 0.82 PRMT5 (0.42) PRMT5TRPV3ALOX5APFEN1SMARCA2
SCHEMBL5424542 0.82 CDK1 (0.48) CDK1CDK2MAP3K12
SCHEMBL5425664 0.82 SMARCA2 (0.44) PRMT5TRPV3ALOX5APFEN1SMARCA2
Hydrochloric Acid SCHEMBL5432610 0.81 CDK1 (0.47) CDK1CDK2MAP3K12
Hydrochloric Acid SCHEMBL5435520 0.79 CDK1 (0.42) CDK1CDK2MAP3K12
SCHEMBL5432419 0.79 IKBKB (0.44) PRMT5TRPV3ALOX5APFEN1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 US disclosed
EP-1736472-A1 2-AMINOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-27 EP 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-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 CDK1 477/4885CDK2 26/4885PRMT5 324/4885

“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.