SCHEMBL15940775

SCHEMBL15940775

Clc1nc(NCc2ccc(-n3cccn3)cc2)c2ncn(C3CCCC3)c2n1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.71
CCNE1 P24864 6/20 0.71
CDK2 P24941 6/20 0.71
CTSL P07711 4/20 0.56
PDGFRA P16234 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CCNE2 O96020 4/20 0.50
CCNA2 P20248 2/20 0.50
CCNA1 P78396 2/20 0.50
CCNB2 O95067 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
FLT3 P36888 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
CDK5 Q00535 2/20 0.49

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
SCHEMBL25022492 0.84 CDK1 (0.52) CDK1CCNE1CDK2CTSLPDGFRA
SCHEMBL6820578 0.84 CTSL (0.64) CDK1CCNE1CDK2CTSLTDP1
SCHEMBL5193141 0.84 CDK1 (0.78) CDK1CCNE1CDK2CTSLTDP1
SCHEMBL6817715 0.84 CTSL (0.76) CDK1CCNE1CDK2CTSLTDP1
SCHEMBL15940817 0.84 CDK2 (0.71) CDK1CCNE1CDK2PDGFRATDP1
SCHEMBL15940852 0.84 CDK1 (0.64) CDK1CCNE1CDK2CTSLPDGFRA
SCHEMBL15940971 0.84 CDK1 (0.64) CDK1CCNE1CDK2CTSLPDGFRA
SCHEMBL15941227 0.84 CDK1 (0.64) CDK1CCNE1CDK2CTSLPDGFRA
SCHEMBL17352572 0.84 CCNE1 (0.71) CDK1CCNE1CDK2CTSLPDGFRA
SCHEMBL6821053 0.83 CDK1 (0.63) CDK1CCNE1CDK2CTSLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS BIOPATTERNS S.R.O. (CZ) 2015-12-24 US disclosed
US-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS BIOPATTERNS S.R.O. (CZ) 2015-12-24 US disclosed
US-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS BIOPATTERNS S.R.O. (CZ) 2015-12-24 US disclosed
EP-2953951-A2 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS Univerzita palackeho V Olomouci (CZ) 2015-12-16 EP disclosed
WO-2014121764-A2 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2014-08-14 WO disclosed
WO-2014121764-A2 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2014-08-14 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-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS ENTPD5, PNP, HCCS CDK1 856/4885CCNE1 2605/4885CDK2 356/4885

“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.