SCHEMBL3726802

SCHEMBL3726802

CC(C)NCC(C(=O)N1CCN(c2c(-c3cccc(F)c3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.48
AKT3 Q9Y243 19/20 0.48
AKT2 P31751 16/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3726798 1.00 AKT1 (0.48) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL12101500 0.94 AKT1 (0.49) AKT1AKT3AKT2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3779298 0.93 AKT1 (0.48) AKT1AKT3AKT2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3779301 0.93 AKT1 (0.48) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL12101563 0.93 AKT1 (0.49) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL3781972 0.92 AKT1 (0.47) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL3781963 0.92 AKT1 (0.47) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL12101467 0.92 AKT1 (0.40) AKT1AKT3AKT2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3778140 0.92 AKT1 (0.49) AKT1AKT3AKT2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3778145 0.92 AKT1 (0.49) AKT1AKT3AKT2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 537/4885AKT3 484/4885AKT2 573/4885

“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.