SCHEMBL1284584

SCHEMBL1284584

NC(=O)CC(n1ccc2cnc(Nc3ccc(-c4cnco4)cc3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.45
▸ GSK3B P49841 9/20 0.37
▸ DYRK1A Q13627 9/20 0.37
▸ WNT1 P04628 8/20 0.37
▸ MAP3K7 O43318 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNA2 P20248 1/20 0.33

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
SCHEMBL1284875 0.92 TBK1 (0.42) SYKGSK3BDYRK1AWNT1MAP3K7
SCHEMBL1284926 0.82 CDK4 (0.40) DYRK1ACDK4CCNA2CCND1CDK2
SCHEMBL1284543 0.82 STAT6 (0.51) SYKSTAT6CDK1CDK4CCNA2
SCHEMBL1284527 0.82 CCNA2 (0.49) SYKSTAT6CCNT1CDK1CDK4
SCHEMBL1284416 0.82 JAK3 (0.49) SYKGSK3BDYRK1ACDK2CDK7
SCHEMBL1284506 0.81 CAMK2D (0.43) STAT6TBK1CCNT1CDK1CDK4
SCHEMBL1285133 0.81 SYK (0.46) SYKIRAK4STAT6TBK1CCNT1
SCHEMBL1284702 0.80 SYK (0.42) SYKGSK3BDYRK1AIRAK4KDM4E
SCHEMBL1284193 0.80 STAT6 (0.42) SYKMAP3K7IRAK4STAT6TBK1
SCHEMBL1284285 0.80 CDK4 (0.51) MAP3K7STAT6CDK1CDK4CCNA2

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 230/4885GSK3B 138/4885DYRK1A 332/4885

“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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