SCHEMBL5005085

SCHEMBL5005085

O=C(CCN1CCCCC1)N1CC=C(c2cc3c(On4nnc5ccccc54)ncnc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 18/20 0.51
▸ CCNT1 O60563 17/20 0.51
▸ NAMPT P43490 1/20 0.41
▸ BTK Q06187 1/20 0.36

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
SCHEMBL13994155 0.81 CDK9 (0.51) CDK9CCNT1NAMPTBTK
SCHEMBL5005732 0.78 CCNT1 (0.58) CDK9CCNT1NAMPTBTK
SCHEMBL5010259 0.72 CCNT1 (0.50) CDK9CCNT1
SCHEMBL5004883 0.71 CCNT1 (0.49) CDK9CCNT1NAMPT
SCHEMBL5005809 0.71 CCNT1 (0.49) CDK9CCNT1NAMPT
SCHEMBL5004687 0.70 CCNT1 (0.51) CDK9CCNT1NAMPTBTK
SCHEMBL5001451 0.70 CDK9 (0.51) CDK9CCNT1NAMPT
SCHEMBL5009945 0.70 CCNT1 (0.48) CDK9CCNT1NAMPTBTK
SCHEMBL5008369 0.70 CCNT1 (0.50) CDK9CCNT1NAMPTBTK
SCHEMBL13994072 0.70 CCNT1 (0.49) CDK9CCNT1NAMPT

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 CDK9 428/4885CCNT1 1580/4885NAMPT 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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