SCHEMBL14500249

SCHEMBL14500249

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5ncccc5c4)ccnc3[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 13/20 0.57
▸ CDK9 P50750 13/20 0.57
▸ TBK1 Q9UHD2 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ GRM5 P41594 3/20 0.43
▸ GRM1 Q13255 3/20 0.43

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
SCHEMBL13994070 0.89 CCNT1 (0.51) CCNT1CDK9TBK1PDE10AGRM5
SCHEMBL5661075 0.88 CCNT1 (0.49) CCNT1CDK9
SCHEMBL14500354 0.86 CDK9 (0.55) CCNT1CDK9TBK1
SCHEMBL14500302 0.86 CDK9 (0.57) CCNT1CDK9TBK1
SCHEMBL14500359 0.86 CCNT1 (0.55) CCNT1CDK9TBK1PDE10A
SCHEMBL5661370 0.85 CDK9 (0.56) CCNT1CDK9TBK1
SCHEMBL14500303 0.85 CDK9 (0.56) CCNT1CDK9TBK1
SCHEMBL14500458 0.85 CDK9 (0.56) CCNT1CDK9TBK1
SCHEMBL5661540 0.85 CDK9 (0.56) CCNT1CDK9TBK1PDE10A
SCHEMBL14500243 0.85 CDK9 (0.59) CCNT1CDK9TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — 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-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK CCNT1 1682/4885CDK9 392/4885TBK1 702/4885

“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