SCHEMBL1284527

SCHEMBL1284527

NC(=O)CC(n1ccc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 7/20 0.49
▸ CDK2 P24941 7/20 0.49
▸ CCNT1 O60563 6/20 0.49
▸ CDK1 P06493 6/20 0.49
▸ CDK4 P11802 6/20 0.49
▸ CCND1 P24385 6/20 0.49
▸ CCNE1 P24864 6/20 0.49
▸ CCND3 P30281 6/20 0.49
▸ CDK9 P50750 6/20 0.49
▸ CDK3 Q00526 6/20 0.49
▸ CDK6 Q00534 6/20 0.49
▸ CDK5R1 Q15078 6/20 0.49
▸ JAK2 O60674 3/20 0.46
▸ LRRK2 Q5S007 2/20 0.46
▸ MAPK10 P53779 1/20 0.45
▸ PLK4 O00444 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ NTRK1 P04629 1/20 0.41
▸ CDK7 P50613 3/20 0.40

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
SCHEMBL1284543 0.90 STAT6 (0.51) CCNA2CDK2CDK1CDK4CCND1
SCHEMBL1284193 0.86 STAT6 (0.42) CCNA2CDK2CDK1CDK4CCND1
SCHEMBL1285031 0.84 STAT6 (0.42) CCNA2CDK2CDK1CDK4CCND1
SCHEMBL1284623 0.84 CDK4 (0.42) CCNA2CDK2CCNT1CDK1CDK4
SCHEMBL1284834 0.83 JAK3 (0.47) JAK2BTK
SCHEMBL1284577 0.83 HDAC3 (0.47) CCNA2CDK2CCNT1CDK4CCNE1
SCHEMBL1285329 0.83 STAT6 (0.43) CDK4CCND1CCND3STAT6BTK
SCHEMBL1284285 0.83 CDK4 (0.51) CCNA2CDK2CDK1CDK4CCND1
SCHEMBL1284584 0.82 SYK (0.45) CCNA2CDK2CCNT1CDK1CDK4
SCHEMBL1284581 0.82 TBK1 (0.54) CCNA2CDK2CDK1CDK4JAK2

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
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 — — US claimed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 — — EP claimed
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

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 CCNA2 609/4885CDK2 89/4885CCNT1 407/4885

“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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