SCHEMBL1285279

SCHEMBL1285279

NC(=O)CC(C(=O)O)n1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 7/20 0.45
▸ CSF1R P07333 1/20 0.43
▸ DAPK1 P53355 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ JAK3 P52333 2/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 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
SCHEMBL1285329 0.87 STAT6 (0.43) STAT6CSF1RDAPK1KCNH2RPS6KA3
SCHEMBL1284193 0.85 STAT6 (0.42) STAT6CSF1RDAPK1KCNH2RPS6KA3
SCHEMBL1285031 0.85 STAT6 (0.42) STAT6CSF1RDAPK1KCNH2RPS6KA3
SCHEMBL1284623 0.85 CDK4 (0.42) STAT6CSF1RDAPK1KCNH2RPS6KA3
SCHEMBL1285109 0.83 STAT6 (0.40) STAT6CSF1RDAPK1KCNH2RPS6KA3
SCHEMBL3717362 0.80 STAT6 (0.53) STAT6CSF1RDAPK1KCNH2RPS6KA3
SCHEMBL1284543 0.76 STAT6 (0.51) STAT6CSF1RRPS6KA3CDK4CCND1
SCHEMBL1285380 0.76 JAK3 (0.47) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1285114 0.74 JAK3 (0.45) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1284873 0.73 STAT6 (0.55) STAT6RPS6KA3TBK1CDK4CCND1

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 1 patent. 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 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 446/4885CSF1R 921/4885DAPK1 924/4885

“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.

Send feedback