SCHEMBL5005732

SCHEMBL5005732

O=C(CCN1CCCCC1)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 15/20 0.58
▸ CDK9 P50750 15/20 0.58
▸ NAMPT P43490 1/20 0.44
▸ BTK Q06187 4/20 0.40

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
SCHEMBL5008478 0.82 CCNT1 (0.49) CCNT1CDK9NAMPTBTK
SCHEMBL5008327 0.82 CCNT1 (0.45) CCNT1CDK9BTK
SCHEMBL5008369 0.78 CCNT1 (0.50) CCNT1CDK9NAMPTBTK
SCHEMBL14646806 0.78 CCNT1 (0.58) CCNT1CDK9BTK
SCHEMBL13994155 0.78 CDK9 (0.51) CCNT1CDK9NAMPTBTK
SCHEMBL5004883 0.78 CCNT1 (0.49) CCNT1CDK9NAMPT
SCHEMBL5005809 0.78 CCNT1 (0.49) CCNT1CDK9NAMPT
SCHEMBL13994072 0.78 CCNT1 (0.49) CCNT1CDK9NAMPT
SCHEMBL5005085 0.78 CDK9 (0.51) CCNT1CDK9NAMPTBTK
SCHEMBL14500428 0.77 CDK9 (0.54) CCNT1CDK9NAMPT

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 CCNT1 1580/4885CDK9 428/4885NAMPT 3067/4885

“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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