SCHEMBL5005791

SCHEMBL5005791

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)c(Br)cnc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 9/20 0.47
▸ CCNT1 O60563 8/20 0.47
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ NAMPT P43490 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ RIPK2 O43353 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ KIT P10721 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ JAK1 P23458 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
SCHEMBL5005617 0.89 TBK1 (0.48) CDK9CCNT1KEAP1NFE2L2TBK1
SCHEMBL14531050 0.89 CCNT1 (0.38) CDK9CCNT1
SCHEMBL14500613 0.89 CCNT1 (0.39) CDK9CCNT1
SCHEMBL14500615 0.87 CCNT1 (0.46) CDK9CCNT1
SCHEMBL5005640 0.86 CCNT1 (0.49) CDK9CCNT1KEAP1NFE2L2TBK1
SCHEMBL5661540 0.86 CDK9 (0.56) CDK9CCNT1KEAP1NFE2L2TBK1
SCHEMBL14530348 0.85 CCNT1 (0.39) CDK9CCNT1
SCHEMBL14500619 0.83 CDK9 (0.48) CDK9CCNT1TBK1NAMPTCNR1
SCHEMBL5001788 0.83 CDK9 (0.48) CDK9CCNT1TBK1NAMPTCNR1
SCHEMBL5008365 0.80 RIPK2 (0.53) CDK9CCNT1TBK1PDE10ARIPK2

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 8 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
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
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — 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 (2 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 CDK9 428/4885CCNT1 1580/4885KEAP1 2052/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK CDK9 392/4885CCNT1 1682/4885KEAP1 2327/4885

“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