SCHEMBL15940702

SCHEMBL15940702

NC1CCC(Nc2nc(NCc3ccc(-c4ccc(C(=O)O)cc4)nc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.83
▸ CDK1 P06493 18/20 0.83
▸ CCNE1 P24864 18/20 0.83
▸ CCNT1 O60563 1/20 0.72
▸ CDK7 P50613 1/20 0.72
▸ CDK9 P50750 1/20 0.72
▸ CCNH P51946 1/20 0.72
▸ MNAT1 P51948 1/20 0.72
▸ CDK5 Q00535 1/20 0.72
▸ CDK5R1 Q15078 1/20 0.72
▸ CCNE2 O96020 2/20 0.71
▸ CCNA2 P20248 1/20 0.71
▸ CCNA1 P78396 1/20 0.71
▸ FLT3 P36888 3/20 0.68
▸ CCNB2 O95067 1/20 0.68
▸ CDK4 P11802 1/20 0.68
▸ CCNB1 P14635 1/20 0.68
▸ CCND1 P24385 1/20 0.68
▸ CCNB3 Q8WWL7 1/20 0.68
▸ PDGFRA P16234 1/20 0.63

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
SCHEMBL15940906 0.93 CDK2 (0.72) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL15941042 0.92 CDK2 (0.83) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL15940950 0.92 CDK2 (0.70) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL5193280 0.91 CDK2 (0.80) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL5193267 0.91 CDK2 (0.80) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL15941084 0.90 CDK2 (0.66) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL15940978 0.85 CDK2 (0.71) CDK2CDK1CCNE1CCNE2CCNA2
SCHEMBL15940814 0.85 CDK2 (0.70) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL15947170 0.85 CDK2 (1.00) CDK2CDK1CCNE1CCNT1CDK7
SCHEMBL15941222 0.85 CDK2 (0.59) CDK2CDK1CCNE1CCNT1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953951-B1 N2-SUBSTITUTED-N6-(6-ARYL-PYRIDINE-3-YLMETHYL)-9-CYCLOPENTYL-9H-PURINE-2,6-DIAMINE DERIVATIVES AS TUMOR SUPPRESSOR P53 ACTIVATORS FOR INHIBITING ANGIOGENESIS AND FOR TREATING CANCER UNIV PALACKEHO (CZ) 2017-05-03 — — EP 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

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 356/4885CDK1 856/4885CCNE1 2605/4885

“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.

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