SCHEMBL3719976

SCHEMBL3719976

O=C(O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2c(Br)cnc3[nH]ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.53
ROCK2 O75116 1/20 0.41
AKT2 P31751 1/20 0.41
KCNH2 Q12809 1/20 0.41
AKT3 Q9Y243 1/20 0.41
CYP51A1 Q16850 1/20 0.40
KIT P10721 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
SCHEMBL3721430 0.88 AKT1 (0.54) AKT1ROCK2AKT2KCNH2AKT3
SCHEMBL3721650 0.88 AKT1 (0.51) AKT1ROCK2AKT2KCNH2AKT3
SCHEMBL3728445 0.88 AKT1 (0.49) AKT1
SCHEMBL3728447 0.88 AKT1 (0.49) AKT1
SCHEMBL3726609 0.86 AKT1 (0.70) AKT1AKT2AKT3
SCHEMBL3726603 0.86 AKT1 (0.70) AKT1AKT2AKT3
SCHEMBL3723074 0.84 AKT1 (0.47) AKT1ROCK2AKT2KCNH2AKT3
SCHEMBL3774558 0.81 AKT1 (0.45) AKT1CYP51A1KIT
SCHEMBL27821427 0.80 AKT1 (0.52) AKT1ROCK2AKT2KCNH2AKT3
SCHEMBL13011188 0.80 AKT1 (0.54) AKT1ROCK2AKT2KCNH2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 537/4885ROCK2 1355/4885AKT2 573/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885ROCK2 1444/4885AKT2 583/4885

“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.