SCHEMBL1284926

SCHEMBL1284926

NC(=O)CC(n1ccc2cnc(Nc3cccnc3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.40
▸ CCND1 P24385 3/20 0.40
▸ FLT4 P35916 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ AURKA O14965 3/20 0.39
▸ MARK3 P27448 5/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ CCND2 P30279 2/20 0.36
▸ CCND3 P30281 2/20 0.36
▸ MARK4 Q96L34 3/20 0.35
▸ BTK Q06187 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35

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
SCHEMBL1285558 0.87 CDK4 (0.45) CDK4CCND1FLT4KDRAURKA
SCHEMBL1284750 0.86 MAP3K5 (0.46) CDK4AURKAPDGFRBEGFR
SCHEMBL1284702 0.85 SYK (0.42) CDK4CCND1FLT4KDRAURKA
SCHEMBL1285070 0.85 CDK4 (0.45) CDK4CCND1FLT4KDRAURKA
SCHEMBL1284416 0.85 JAK3 (0.49) FLT4KDRCDK2DYRK1A
SCHEMBL1284597 0.84 SYK (0.46) CDK4CCND1AURKACCND3CCNA2
SCHEMBL1285497 0.84 MAP3K5 (0.46) CDK4AURKAPDGFRBEGFR
SCHEMBL1284875 0.84 TBK1 (0.42) CDK4FLT4KDRAURKAMARK3
SCHEMBL1284997 0.83 TBK1 (0.47) CDK4FLT4KDRAURKAMARK3
SCHEMBL1284716 0.83 AURKA (0.38) CDK4FLT4KDRAURKAMARK3

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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 — — US 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 CDK4 85/4885CCND1 574/4885FLT4 179/4885

“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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