SCHEMBL15036358

SCHEMBL15036358

Clc1ccncc1-c1cc2cc(Br)cnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.37
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
GCK P35557 2/20 0.33
KIT P10721 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
ABL1 P00519 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP17A1 P05093 1/20 0.33
PIM1 P11309 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 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
SCHEMBL15036345 0.83 CLK2 (0.40) RIPK1GSK3AGSK3BKITCCNB2
SCHEMBL15020513 0.81 PIK3C3 (0.44) RIPK1GSK3AGSK3BKITCCNB2
SCHEMBL15020658 0.74 PDGFRB (0.34) RIPK1GSK3AGSK3BKITABL1
SCHEMBL28461095 0.74 CYP19A1 (0.54) RIPK1KITCCNB2CDK1CCNB1
SCHEMBL15020532 0.71 CYP17A1 (0.45) KITCYP17A1CDK9ORAI1
SCHEMBL16423939 0.70 DHFR (0.49) RIPK1KITNPY5R
SCHEMBL15020663 0.70 ORAI1 (0.57) PIM1JAK2ORAI1PIM2
SCHEMBL15750978 0.70 DYRK1A (0.43) GSK3AGSK3BGCKCDK1ABL1
SCHEMBL15020472 0.70 CYP19A1 (0.54) RIPK1GSK3AGSK3BKITCCNB2
SCHEMBL31447389 0.68 CCNB2 (0.50) GSK3AGSK3BKITCCNB2CDK1

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 RIPK1 1160/4885GSK3A 3194/4885GSK3B 3131/4885

“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.