SCHEMBL15020547

SCHEMBL15020547

CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
KIT P10721 3/20 0.42
CYP2E1 P05181 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
PIK3CG P48736 1/20 0.40
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
DYRK1A Q13627 2/20 0.39
TBXAS1 P24557 1/20 0.39
CYP19A1 P11511 1/20 0.39
RIPK1 Q13546 4/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ULK1 O75385 1/20 0.39

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
SCHEMBL15020476 0.89 BRD4 (0.43) BRD4KITPIK3CGRIPK1CCNB2
SCHEMBL15036344 0.88 CLK2 (0.38) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020516 0.88 ORAI1 (0.41) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020878 0.88 CYP19A1 (0.40) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020674 0.87 CYP2E1 (0.37) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020659 0.84 BRD4 (0.53) BRD4KITCYP2E1CYP3A4CYP2A6
SCHEMBL15020544 0.81 NPY5R (0.43) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL15020844 0.75 HTR2C (0.34) KITCLK2CLK3DYRK1A
SCHEMBL15020834 0.75 PIK3C3 (0.35) BRD4KITS1PR1
SCHEMBL1459934 0.75 MMP13 (0.43) KITTBXAS1CYP19A1S1PR1NPY5R

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
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO claimed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US claimed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 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 (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-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 BRD4 1427/4885KIT 534/4885CYP2E1 2034/4885

“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.