SCHEMBL1284954

SCHEMBL1284954

Cn1ncc2ccc(Nc3ncc4ccn(C(CC(N)=O)C5(C(=O)O)CCC5)c4n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.42
▸ TRPV1 Q8NER1 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ AURKA O14965 8/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ EML4 Q9HC35 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CDK1 P06493 7/20 0.35
▸ AURKB Q96GD4 6/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 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
SCHEMBL1284762 0.94 SYK (0.41) SYKAURKACDK4JAK2JAK1
SCHEMBL1284236 0.89 JAK3 (0.35) AURKACDK4JAK2JAK1JAK3
SCHEMBL1284416 0.86 JAK3 (0.49) SYKALKJAK2JAK1JAK3
SCHEMBL1284702 0.84 SYK (0.42) SYKAURKACDK4ALKJAK2
SCHEMBL1284750 0.84 MAP3K5 (0.46) AURKACDK4JAK2JAK3AURKB
SCHEMBL1285257 0.83 PTK2 (0.43) SYKJAK3
SCHEMBL1285558 0.83 CDK4 (0.45) SYKAURKACDK4ALKJAK2
SCHEMBL1284479 0.82 SYK (0.44) SYKJAK2JAK3CDK1AURKB
SCHEMBL1284285 0.82 CDK4 (0.51) AURKACDK4JAK2JAK3CDK1
SCHEMBL1284599 0.82 SYK (0.44) SYKAURKACDK4JAK2JAK3

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 SYK 230/4885TRPV1 2438/4885SLC2A1 4622/4885

“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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