SCHEMBL15020844

SCHEMBL15020844

CCn1nc(-c2cnccn2)cc1-c1cnc2[nH]c(-c3cnccc3C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.34
CLK2 P49760 3/20 0.33
DYRK1A Q13627 3/20 0.33
KIT P10721 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CLK3 P49761 2/20 0.33
ABL1 P00519 2/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRM5 P41594 2/20 0.32
CHEK1 O14757 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL15020834 0.93 PIK3C3 (0.35) HTR2CKITABL1RETKDR
SCHEMBL15060068 0.89 KIT (0.34) CLK2DYRK1AKITCLK3
SCHEMBL15036344 0.88 CLK2 (0.38) HTR2CCLK2DYRK1AKITIRAK4
SCHEMBL12745918 0.87 CLK2 (0.39) HTR2CCLK2DYRK1ACLK3ABL1
SCHEMBL15020476 0.85 BRD4 (0.43) HTR2CKITRETKDR
SCHEMBL15020878 0.80 CYP19A1 (0.40) HTR2CCLK2DYRK1AKITCLK3
SCHEMBL15020536 0.79 ORAI1 (0.49) HTR2CKITRETKDRCHEK1
SCHEMBL15020674 0.78 CYP2E1 (0.37) HTR2CCLK2DYRK1AKITCLK3
SCHEMBL15020474 0.76 CHEK1 (0.35) CHEK1ACHE
SCHEMBL15020471 0.76 CYP2C9 (0.37) KIT

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 HTR2C 493/4885CLK2 3205/4885DYRK1A 4635/4885

“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.