SCHEMBL5004983

SCHEMBL5004983

Cn1cc(Nc2ncnc3[nH]c(C4=CCN(C(=O)OC(C)(C)C)CC4)cc23)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 8/20 0.51
▸ CCNT1 O60563 7/20 0.51
▸ TBK1 Q9UHD2 1/20 0.44
▸ KIT P10721 3/20 0.44
▸ NAMPT P43490 1/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ BRD4 O60885 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
SCHEMBL5005409 0.89 CCNT1 (0.48) CDK9CCNT1TBK1KITNAMPT
SCHEMBL5009927 0.88 CCNT1 (0.41) CDK9CCNT1MKNK1BTK
SCHEMBL14500460 0.87 CDK9 (0.58) CDK9CCNT1TBK1
SCHEMBL13994061 0.87 CCNT1 (0.55) CDK9CCNT1TBK1KITNAMPT
SCHEMBL5010118 0.86 CCNT1 (0.51) CDK9CCNT1TBK1KITNAMPT
SCHEMBL5008380 0.86 CCNT1 (0.53) CDK9CCNT1TBK1KITNAMPT
SCHEMBL5005595 0.86 CCNT1 (0.51) CDK9CCNT1TBK1KITNAMPT
SCHEMBL5005532 0.85 CCNT1 (0.49) CDK9CCNT1TBK1KITNAMPT
SCHEMBL5004893 0.85 CCNT1 (0.49) CDK9CCNT1TBK1KITNAMPT
SCHEMBL5005666 0.85 CCNT1 (0.49) CDK9CCNT1TBK1KITNAMPT

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 6 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
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 — — EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 — — WO 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 CDK9 428/4885CCNT1 1580/4885TBK1 637/4885

“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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