SCHEMBL5010037

SCHEMBL5010037

CC(C)(C)NC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.44
▸ KDR P35968 1/20 0.44
▸ FLT1 P17948 3/20 0.42
▸ CCNT1 O60563 8/20 0.42
▸ CDK9 P50750 8/20 0.42
▸ BTK Q06187 4/20 0.41
▸ ERBB2 P04626 1/20 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
SCHEMBL5001675 0.88 CCNT1 (0.49) EGFRKDRFLT1CCNT1CDK9
SCHEMBL13994090 0.88 MKNK1 (0.47) EGFRCCNT1CDK9BTK
SCHEMBL5664613 0.88 CCNT1 (0.47) CCNT1CDK9
SCHEMBL14500618 0.85 CCNT1 (0.40) CCNT1CDK9
SCHEMBL5001496 0.85 CCNT1 (0.45) EGFRCCNT1CDK9ERBB2
SCHEMBL5002045 0.85 BRD4 (0.43) CCNT1CDK9
SCHEMBL5010032 0.83 CCNT1 (0.49) CCNT1CDK9BTK
SCHEMBL5009927 0.83 CCNT1 (0.41) CCNT1CDK9BTK
SCHEMBL5008370 0.82 CCNT1 (0.48) CCNT1CDK9BTK
SCHEMBL5008119 0.82 CCNT1 (0.40) CCNT1CDK9BTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — US claimed
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 EGFR 137/4885KDR 64/4885FLT1 105/4885

“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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