SCHEMBL5005857

SCHEMBL5005857

C1=C(c2cc3c(On4nnc5cccnc54)ncnc3[nH]2)CCNC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 16/20 0.44
▸ CCNT1 O60563 15/20 0.44
▸ PRMT5 O14744 4/20 0.41
▸ PRMT1 Q99873 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
SCHEMBL5010259 0.77 CCNT1 (0.50) CDK9CCNT1
SCHEMBL3978381 0.70 RAB9A (0.41) —
SCHEMBL13994236 0.67 CDK9 (0.54) CDK9CCNT1PRMT5
Hydrochloric Acid SCHEMBL5005714 0.67 CDK9 (0.53) CDK9CCNT1PRMT5
SCHEMBL27527107 0.66 CDK9 (0.47) CDK9CCNT1
SCHEMBL3975732 0.65 ALDH1A1 (0.46) CDK9
SCHEMBL4369906 0.64 FAAH (0.34) —
SCHEMBL5663694 0.64 CDK9 (0.68) CDK9CCNT1
SCHEMBL14199808 0.64 CDK9 (0.61) CDK9CCNT1
SCHEMBL5001539 0.64 CDK9 (0.49) CDK9CCNT1PRMT5PRMT1

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 1580/4885PRMT5 709/4885

“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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