SCHEMBL15020516

SCHEMBL15020516

CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.41
KIT P10721 2/20 0.40
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIN1 Q05586 5/20 0.37
GRIN2B Q13224 5/20 0.37
CLK2 P49760 3/20 0.37
CLK3 P49761 3/20 0.37
DYRK1A Q13627 3/20 0.37
WNT1 P04628 1/20 0.37
HTR2C P28335 2/20 0.36
MET P08581 2/20 0.35
RET P07949 1/20 0.35
KDR P35968 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
SCHEMBL15020547 0.88 BRD4 (0.43) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1459710 0.86 CYP19A1 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL15020659 0.84 BRD4 (0.53) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020451 0.83 ORAI1 (0.42) ORAI1KITFGFR2FGFR3CLK2
SCHEMBL15036344 0.83 CLK2 (0.38) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020878 0.83 CYP19A1 (0.40) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020536 0.83 ORAI1 (0.49) ORAI1KITFGFR2FGFR3HTR2C
SCHEMBL15020674 0.83 CYP2E1 (0.37) KITCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15020830 0.81 ORAI1 (0.43) ORAI1KITFGFR2FGFR3
SCHEMBL1459931 0.80 MMP2 (0.38) ORAI1CYP2C9CLK2CLK3DYRK1A

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-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
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
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US 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 ORAI1 1/4885KIT 534/4885FGFR2 4522/4885

“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.