SCHEMBL3721650

SCHEMBL3721650

O=C(O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.51
AKT2 P31751 2/20 0.43
AKT3 Q9Y243 2/20 0.43
ROCK2 O75116 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKT1S1 Q96B36 1/20 0.40
CYP3A4 P08684 1/20 0.40
UGCG Q16739 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
SCHEMBL3723074 0.92 AKT1 (0.47) AKT1AKT2AKT3ROCK2KCNH2
SCHEMBL3774558 0.89 AKT1 (0.45) AKT1
SCHEMBL3724001 0.89 AKT1 (0.47) AKT1
SCHEMBL3724003 0.89 AKT1 (0.47) AKT1
SCHEMBL3730223 0.89 AKT1 (0.66) AKT1AKT2AKT3AKT1S1
SCHEMBL3730226 0.89 AKT1 (0.66) AKT1AKT2AKT3AKT1S1
SCHEMBL3719976 0.88 AKT1 (0.53) AKT1AKT2AKT3ROCK2KCNH2
SCHEMBL3721430 0.86 AKT1 (0.54) AKT1AKT2AKT3ROCK2KCNH2
SCHEMBL3721751 0.85 AKT1 (0.54) AKT1AKT1S1CYP3A4UGCG
SCHEMBL27821433 0.82 AKT1 (0.49) AKT1AKT2AKT3ROCK2KCNH2

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 537/4885AKT2 573/4885AKT3 484/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885AKT2 583/4885AKT3 492/4885

“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.