SCHEMBL5005941

SCHEMBL5005941

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5nc(NCc6ccccc6)sc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.46
▸ CDK9 P50750 5/20 0.43
▸ CCNT1 O60563 3/20 0.43
▸ KIT P10721 3/20 0.42
▸ TBK1 Q9UHD2 1/20 0.39
▸ MKNK1 Q9BUB5 4/20 0.39
▸ AURKB Q96GD4 3/20 0.38
▸ AURKA O14965 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL5010244 0.94 PDE10A (0.45) PDE10ACDK9CCNT1KITTBK1
SCHEMBL14500392 0.90 CDK9 (0.49) PDE10ACDK9CCNT1TBK1ACHE
SCHEMBL5010005 0.89 CCNT1 (0.44) PDE10ACDK9CCNT1KITTBK1
SCHEMBL5001369 0.88 CCNT1 (0.43) PDE10ACDK9CCNT1KITTBK1
SCHEMBL5008254 0.86 CCNT1 (0.48) PDE10ACDK9CCNT1KITTBK1
SCHEMBL14500402 0.83 CDK9 (0.48) PDE10ACDK9CCNT1TBK1
SCHEMBL13994061 0.83 CCNT1 (0.55) CDK9CCNT1KITTBK1MKNK1
SCHEMBL5005640 0.83 CCNT1 (0.49) PDE10ACDK9CCNT1KITTBK1
SCHEMBL13994070 0.81 CCNT1 (0.51) PDE10ACDK9CCNT1KITTBK1
SCHEMBL13996645 0.81 CCNT1 (0.46) CDK9CCNT1KITTBK1MKNK1

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 PDE10A 1793/4885CDK9 428/4885CCNT1 1580/4885

“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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