SCHEMBL5004837

SCHEMBL5004837

O=C(CN1CCCC1)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 15/20 0.40
▸ CDK9 P50750 15/20 0.40
▸ EGFR P00533 2/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ KIT P10721 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
SCHEMBL5010289 0.99 CCNT1 (0.41) CCNT1CDK9EGFRNAMPTKIT
SCHEMBL5004741 0.99 CCNT1 (0.41) CCNT1CDK9EGFRNAMPTKIT
SCHEMBL5001665 0.93 KIT (0.45) CCNT1CDK9EGFRNAMPTKIT
SCHEMBL5001673 0.93 NAMPT (0.42) CCNT1CDK9EGFRNAMPTKIT
SCHEMBL13994223 0.93 CCNT1 (0.46) CCNT1CDK9
SCHEMBL5009945 0.93 CCNT1 (0.48) CCNT1CDK9EGFRNAMPT
SCHEMBL5005376 0.92 CCNT1 (0.41) CCNT1CDK9
SCHEMBL5005809 0.92 CCNT1 (0.49) CCNT1CDK9EGFRNAMPT
SCHEMBL5004883 0.92 CCNT1 (0.49) CCNT1CDK9EGFRNAMPT
SCHEMBL13994208 0.91 CCNT1 (0.38) CCNT1CDK9EGFRKIT

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 CCNT1 1580/4885CDK9 428/4885EGFR 137/4885

“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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