SCHEMBL3774558

SCHEMBL3774558

COc1cccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)C(Cc3ccc(Cl)cc3)NC(=O)O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.45
WNK1 Q9H4A3 1/20 0.42
KIT P10721 1/20 0.42
CYP51A1 Q16850 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MC4R P32245 2/20 0.39
JAK1 P23458 4/20 0.39
JAK2 O60674 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
DGAT2 Q96PD7 1/20 0.38

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
SCHEMBL3723245 0.91 AKT1 (0.44) AKT1WNK1KITCYP51A1ALDH1A1
SCHEMBL3723246 0.91 AKT1 (0.44) AKT1WNK1KITCYP51A1ALDH1A1
SCHEMBL3720578 0.90 AKT1 (0.58) AKT1
SCHEMBL3720574 0.90 AKT1 (0.58) AKT1
SCHEMBL3723074 0.90 AKT1 (0.47) AKT1CYP51A1MC4R
SCHEMBL3721650 0.89 AKT1 (0.51) AKT1
SCHEMBL3718783 0.83 AKT1 (0.46) AKT1
SCHEMBL3718785 0.83 AKT1 (0.46) AKT1
SCHEMBL3724001 0.82 AKT1 (0.47) AKT1GAAMAPK1KMT2AMC4R
SCHEMBL3724003 0.82 AKT1 (0.47) AKT1GAAMAPK1KMT2AMC4R

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-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

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 537/4885WNK1 695/4885KIT 1127/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885WNK1 675/4885KIT 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.