SCHEMBL15940903

SCHEMBL15940903

c1csc(-c2ccc(CNc3nc(NCC4CCNCC4)nc4c3ncn4C3CCCC3)cn2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.70
CCNE1 P24864 13/20 0.70
CDK1 P06493 12/20 0.70
PDGFRA P16234 1/20 0.52
CCNA2 P20248 3/20 0.52
CCNA1 P78396 3/20 0.52
CCNT1 O60563 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51
MNAT1 P51948 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CCNE2 O96020 1/20 0.50

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
SCHEMBL17352552 0.90 CCNE1 (0.69) CDK2CCNE1CDK1CCNA2CCNA1
SCHEMBL17352693 0.86 CDK2 (0.70) CDK2CCNE1CDK1CCNA2CCNA1
SCHEMBL15940671 0.86 CDK1 (0.65) CDK2CCNE1CDK1PDGFRACCNA2
SCHEMBL15941106 0.85 CCNE1 (0.70) CDK2CCNE1CDK1PDGFRACCNA2
SCHEMBL17352546 0.85 CCNE1 (0.71) CDK2CCNE1CDK1CCNA2CCNA1
SCHEMBL17352678 0.85 CCNE1 (0.73) CDK2CCNE1CDK1CCNA2CCNA1
SCHEMBL15941067 0.85 CDK2 (0.73) CDK2CCNE1CDK1PDGFRACCNA2
SCHEMBL15940857 0.85 CDK2 (0.72) CDK2CCNE1CDK1PDGFRACCNA2
SCHEMBL15941047 0.84 CDK2 (0.69) CDK2CCNE1CDK1PDGFRACCNA2
SCHEMBL17352577 0.84 CCNE1 (0.71) CDK2CCNE1CDK1CCNA2CCNA1

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 3 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
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

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 CDK2 356/4885CCNE1 2605/4885CDK1 856/4885

“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.