SCHEMBL5008189

SCHEMBL5008189

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 16/20 0.55
▸ CCNT1 O60563 15/20 0.55
▸ TBK1 Q9UHD2 1/20 0.47
▸ CNR1 P21554 1/20 0.44
▸ JAK1 P23458 1/20 0.43
▸ KIT P10721 1/20 0.42

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
SCHEMBL16967833 0.85 CDK9 (0.66) CDK9CCNT1TBK1
SCHEMBL5005001 0.83 CCNT1 (0.58) CDK9CCNT1TBK1CNR1JAK1
SCHEMBL5665564 0.83 CDK9 (0.66) CDK9CCNT1TBK1
SCHEMBL30603869 0.81 CCNT1 (0.55) CDK9CCNT1TBK1CNR1JAK1
SCHEMBL22476358 0.81 CCNT1 (0.55) CDK9CCNT1TBK1CNR1JAK1
SCHEMBL5008221 0.80 CDK9 (0.51) CDK9CCNT1TBK1CNR1JAK1
SCHEMBL14500619 0.78 CDK9 (0.48) CDK9CCNT1TBK1CNR1JAK1
SCHEMBL5001788 0.78 CDK9 (0.48) CDK9CCNT1TBK1CNR1JAK1
SCHEMBL5005791 0.78 CDK9 (0.47) CDK9CCNT1TBK1CNR1JAK1
SCHEMBL14520938 0.77 CDK9 (0.60) CDK9CCNT1TBK1

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
CN-101052629-A Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARM INC (US) 2007-10-10 — — CN 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 1580/4885TBK1 637/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK CDK9 392/4885CCNT1 1682/4885TBK1 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