SCHEMBL5004683

SCHEMBL5004683

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 16/20 0.48
▸ CDK9 P50750 16/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ SYK P43405 2/20 0.38

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
Isopropylamine SCHEMBL5359356 0.91 SYK (0.39) CCNT1CDK9SYK
SCHEMBL13994106 0.90 CCNT1 (0.43) CCNT1CDK9
SCHEMBL13994181 0.90 CCNT1 (0.44) CCNT1CDK9IRAK4
SCHEMBL5008119 0.89 CCNT1 (0.40) CCNT1CDK9
SCHEMBL13994144 0.89 CCNT1 (0.48) CCNT1CDK9
SCHEMBL5001595 0.89 CCNT1 (0.38) CCNT1CDK9
SCHEMBL5010242 0.89 CCNT1 (0.38) CCNT1CDK9SYK
SCHEMBL5004684 0.89 CCNT1 (0.43) CCNT1CDK9
SCHEMBL5004967 0.88 BTK (0.42) CCNT1CDK9IRAK4SYK
SCHEMBL5004707 0.88 BTK (0.44) CCNT1CDK9IRAK4SYK

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 428/4885IRAK4 241/4885

“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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