SCHEMBL15036345

SCHEMBL15036345

Cc1ccncc1-c1cc2cc(Br)cnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.40
DYRK1A Q13627 3/20 0.40
CLK3 P49761 2/20 0.40
ABL1 P00519 4/20 0.37
RIPK1 Q13546 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
WNT1 P04628 2/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
CDK7 P50613 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKAA1 Q13131 1/20 0.35
AURKB Q96GD4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIT P10721 1/20 0.34
TDO2 P48775 1/20 0.34
CCNB2 O95067 1/20 0.33

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
SCHEMBL15020513 0.89 PIK3C3 (0.44) CLK2DYRK1ACLK3ABL1RIPK1
SCHEMBL15036358 0.83 RIPK1 (0.37) CLK2DYRK1AABL1RIPK1RET
SCHEMBL1459164 0.79 CYP19A1 (0.48) CLK2DYRK1ACLK3KIT
SCHEMBL15750989 0.75 ORAI1 (0.59) CLK2DYRK1ACLK3ABL1RIPK1
SCHEMBL15020654 0.75 PIK3C3 (0.36) CLK2DYRK1ACLK3ABL1RIPK1
SCHEMBL28461095 0.74 CYP19A1 (0.54) CLK2DYRK1ACLK3RIPK1CYP11B1
SCHEMBL15021244 0.73 ORAI1 (0.41) CLK2DYRK1ACLK3ABL1CYP11B1
SCHEMBL24753673 0.72 CYP11B1 (0.42) CLK2DYRK1ACLK3ABL1PIK3C3
SCHEMBL30778358 0.72 CYP11B1 (0.42) CLK2DYRK1ACLK3ABL1PIK3C3
SCHEMBL18971803 0.71 PAK4 (0.42) CLK2ABL1RETKDRCDK7

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 3 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 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 CLK2 3205/4885DYRK1A 4635/4885CLK3 4766/4885

“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.