SCHEMBL5008254

SCHEMBL5008254

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5nc(N)sc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.48
▸ CDK9 P50750 5/20 0.48
▸ PDE10A Q9Y233 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.42
▸ MKNK1 Q9BUB5 6/20 0.42
▸ KIT P10721 3/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ JAK1 P23458 1/20 0.40
▸ RIPK2 O43353 1/20 0.39
▸ NAMPT P43490 1/20 0.39

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
SCHEMBL14500359 0.89 CCNT1 (0.55) CCNT1CDK9PDE10ATBK1PIK3CA
SCHEMBL5005640 0.89 CCNT1 (0.49) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL13994132 0.87 CCNT1 (0.49) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL5010005 0.87 CCNT1 (0.44) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL5001369 0.86 CCNT1 (0.43) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL5005941 0.86 PDE10A (0.46) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL5008365 0.86 RIPK2 (0.53) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL13994070 0.86 CCNT1 (0.51) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL5005662 0.86 CCNT1 (0.49) CCNT1CDK9PDE10ATBK1MKNK1
SCHEMBL5010244 0.85 PDE10A (0.45) CCNT1CDK9PDE10ATBK1MKNK1

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-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK CCNT1 1580/4885CDK9 428/4885PDE10A 1793/4885

“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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