SCHEMBL3723656

SCHEMBL3723656

COc1ccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)C(CN(C(=O)O)C(C)C)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.45
AKT1 P31749 10/20 0.44
KIT P10721 3/20 0.40
AKT2 P31751 2/20 0.38
AKT3 Q9Y243 2/20 0.38
ROCK2 O75116 1/20 0.37
IL2 P60568 3/20 0.36
JAK1 P23458 1/20 0.35
CIT O14578 1/20 0.35

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
SCHEMBL3724342 0.91 MAP4K1 (0.43) MAP4K1AKT1KITAKT2AKT3
SCHEMBL3724343 0.91 MAP4K1 (0.43) MAP4K1AKT1KITAKT2AKT3
SCHEMBL3723051 0.90 AKT1 (0.43) AKT1KITAKT2AKT3JAK1
SCHEMBL3729142 0.89 AKT1 (0.47) AKT1KITAKT2AKT3
SCHEMBL3725439 0.88 AKT1 (0.49) AKT1AKT2AKT3ROCK2JAK1
SCHEMBL3724349 0.87 AKT1 (0.45) AKT1KITAKT2AKT3
SCHEMBL3730372 0.87 AKT1 (0.46) MAP4K1AKT1AKT2AKT3
SCHEMBL3730378 0.87 AKT1 (0.46) MAP4K1AKT1AKT2AKT3
SCHEMBL3775344 0.86 AKT1 (0.46) AKT1KITAKT2AKT3
SCHEMBL3727378 0.86 AKT1 (0.46) AKT1KITAKT2AKT3

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 MAP4K1 75/4885AKT1 537/4885KIT 1127/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B MAP4K1 65/4885AKT1 531/4885KIT 1158/4885

“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.