SCHEMBL15940978

SCHEMBL15940978

O=C(O)c1ccc(-c2ccc(CNc3nc(NC4CCC(O)CC4)nc4c3ncn4C3CCCC3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.71
▸ CCNE1 P24864 16/20 0.71
▸ CDK1 P06493 14/20 0.71
▸ CCNE2 O96020 5/20 0.71
▸ CCNA2 P20248 3/20 0.71
▸ CCNA1 P78396 3/20 0.71
▸ FLT3 P36888 3/20 0.65
▸ CCNB2 O95067 2/20 0.65
▸ CDK4 P11802 2/20 0.65
▸ CCNB1 P14635 2/20 0.65
▸ CCND1 P24385 2/20 0.65
▸ CCNB3 Q8WWL7 2/20 0.65
▸ PDGFRA P16234 1/20 0.60

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
SCHEMBL15941042 0.93 CDK2 (0.83) CDK2CCNE1CDK1CCNE2CCNA2
SCHEMBL15940906 0.92 CDK2 (0.72) CDK2CCNE1CDK1CCNE2CCNA2
SCHEMBL5193267 0.90 CDK2 (0.80) CDK2CCNE1CDK1CCNE2CCNA2
SCHEMBL5193280 0.90 CDK2 (0.80) CDK2CCNE1CDK1CCNE2CCNA2
SCHEMBL5198013 0.88 CDK1 (0.82) CDK2CCNE1CDK1CCNE2CCNA2
SCHEMBL5198008 0.88 CDK1 (0.82) CDK2CCNE1CDK1CCNE2CCNA2
SCHEMBL17352625 0.87 CDK2 (0.69) CDK2CCNE1CDK1CCNE2CCNA2
Hydrochloric Acid SCHEMBL5629216 0.87 CDK1 (0.81) CDK2CCNE1CDK1CCNE2CCNA2
Hydrochloric Acid SCHEMBL5629211 0.87 CDK1 (0.81) CDK2CCNE1CDK1CCNE2CCNA2
SCHEMBL15940676 0.86 CCNE1 (0.85) CDK2CCNE1CDK1CCNE2CCNA2

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.

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