SCHEMBL15940797

SCHEMBL15940797

Clc1nc(NCc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.64
CDK1 P06493 6/20 0.62
TDP1 Q9NUW8 1/20 0.59
CCNE2 O96020 3/20 0.53
CCNE1 P24864 3/20 0.53
CDK2 P24941 3/20 0.53
FLT3 P36888 2/20 0.53
CCNB2 O95067 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCND1 P24385 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
ADORA3 P0DMS8 4/20 0.53
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
CDK5 Q00535 2/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52

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
SCHEMBL6817715 0.91 CTSL (0.76) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL6820578 0.89 CTSL (0.64) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL5193141 0.89 CDK1 (0.78) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL15941033 0.89 CTSL (0.58) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL6821053 0.88 CDK1 (0.63) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL6945642 0.86 TDP1 (0.80) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL6820811 0.86 CTSL (0.60) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL5197924 0.85 CDK1 (0.60) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL27146868 0.85 CDK1 (0.66) CTSLCDK1TDP1CCNE2CCNE1
SCHEMBL6396640 0.83 FLT3 (0.65) CCNE1CDK2FLT3

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 CTSL 1095/4885CDK1 856/4885TDP1 2150/4885

“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.