SCHEMBL1284873

SCHEMBL1284873

NCCCn1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 8/20 0.55
CDK4 P11802 3/20 0.46
AURKA O14965 1/20 0.46
RPS6KA3 P51812 2/20 0.45
TBK1 Q9UHD2 2/20 0.44
CCND1 P24385 2/20 0.44
CCND2 P30279 2/20 0.44
CCND3 P30281 2/20 0.44
WEE1 P30291 1/20 0.43
IGF1R P08069 1/20 0.42
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
SYK P43405 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL3713891 0.89 STAT6 (0.52) STAT6CDK4AURKARPS6KA3TBK1
SCHEMBL3790571 0.89 STAT6 (0.68) STAT6CDK4AURKARPS6KA3CCND1
SCHEMBL3717362 0.86 STAT6 (0.53) STAT6CDK4AURKARPS6KA3TBK1
SCHEMBL3716704 0.86 STAT6 (0.49) STAT6CDK4AURKARPS6KA3TBK1
Cyclohexane SCHEMBL15163521 0.84 TBK1 (0.54) STAT6CDK4AURKATBK1CCND1
Cyclopropane SCHEMBL15163077 0.84 TBK1 (0.54) STAT6CDK4AURKATBK1CCND1
Cyclopentane SCHEMBL15163254 0.84 TBK1 (0.54) STAT6CDK4AURKATBK1CCND1
SCHEMBL15163339 0.84 TBK1 (0.54) STAT6CDK4AURKATBK1CCND1
SCHEMBL1285324 0.83 TBK1 (0.64) STAT6CDK4AURKATBK1JAK3
SCHEMBL3721132 0.83 WEE1 (0.46) STAT6CDK4AURKATBK1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 STAT6 446/4885CDK4 85/4885AURKA 474/4885

“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.