SCHEMBL15020536

SCHEMBL15020536

CCn1nc(-c2cnccn2)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.49
KIT P10721 1/20 0.38
NPC1 O15118 2/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 2/20 0.33
HTR2C P28335 5/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
PIEZO1 Q92508 1/20 0.32
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
ULK1 O75385 2/20 0.31
CHEK1 O14757 1/20 0.31
ACHE P22303 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1459769 0.88 ORAI1 (0.38) ORAI1NPC1ALDH1A1SMN1; SMN2PTGES
SCHEMBL15060322 0.84 NPC1 (0.38) ORAI1NPC1ALDH1A1SMN1; SMN2PTGES
SCHEMBL15020516 0.83 ORAI1 (0.41) ORAI1KITFGFR2FGFR3HTR2C
SCHEMBL15020476 0.83 BRD4 (0.43) KITHTR2CRETKDRULK1
SCHEMBL1460032 0.81 HTR2C (0.37) FGFR2FGFR3HTR2C
SCHEMBL15020844 0.79 HTR2C (0.34) KITHTR2CRETKDRCHEK1
SCHEMBL15020834 0.79 PIK3C3 (0.35) ORAI1KITFGFR2FGFR3HTR2C
SCHEMBL1459931 0.77 MMP2 (0.38) ORAI1SMN1; SMN2PTGES
SCHEMBL15020552 0.76 ORAI1 (0.53) ORAI1NPC1FGFR2FGFR3ALDH1A1
SCHEMBL1460075 0.76 ORAI1 (0.39) ORAI1KITNPC1ALDH1A1SMN1; SMN2

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 7 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
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 534/4885NPC1 3472/4885

“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.