SCHEMBL5010164

SCHEMBL5010164

CC(C)(C)NC(=O)N1CC=C(c2cc3c(Nc4ccc(=O)n(-c5ccccc5)c4)ncnc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 17/20 0.42
▸ CDK9 P50750 17/20 0.42
▸ LIMK1 P53667 2/20 0.39
▸ LIMK2 P53671 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GRM1 Q13255 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
SCHEMBL5005409 0.89 CCNT1 (0.48) CCNT1CDK9GRM5GRM1
SCHEMBL5009927 0.88 CCNT1 (0.41) CCNT1CDK9
SCHEMBL14500448 0.88 CCNT1 (0.47) CCNT1CDK9
SCHEMBL5004952 0.86 CCNT1 (0.40) CCNT1CDK9LIMK1LIMK2
SCHEMBL5001766 0.83 CCNT1 (0.42) CCNT1CDK9
SCHEMBL5010165 0.83 CCNT1 (0.40) CCNT1CDK9LIMK1LIMK2GRM5
SCHEMBL5008360 0.82 CCNT1 (0.42) CCNT1CDK9
SCHEMBL5004919 0.82 CCNT1 (0.40) CCNT1CDK9GRM5GRM1
SCHEMBL5005878 0.82 CCNT1 (0.40) CCNT1CDK9
SCHEMBL5005193 0.81 CCNT1 (0.40) CCNT1CDK9GRM5GRM1

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 428/4885LIMK1 399/4885

“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.

Send feedback