SCHEMBL12123495

SCHEMBL12123495

Nc1ncnc2c1c(Cc1cccc(N=O)c1)nn2Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.52
▸ PIK3CD O00329 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ PRKDC P78527 2/20 0.50
▸ AKT1 P31749 1/20 0.47
▸ BTK Q06187 4/20 0.46
▸ RET P07949 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1318725 0.85 BTK (0.60) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1319216 0.81 PIK3CD (0.48) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12123675 0.81 SRC (0.70) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29390295 0.76 SRC (0.65) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12436039 0.76 SRC (0.65) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12120703 0.76 KDR (0.54) SRCBTKJAK2JAK1JAK3
SCHEMBL12120466 0.74 SRC (0.52) SRCBTKKDM4EJAK2JAK1
SCHEMBL1320583 0.74 KDR (0.56) SRCBTKRETJAK2JAK1
SCHEMBL27882584 0.74 PIK3CD (0.54) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14295949 0.73 KDR (0.53) SRCBTKRETJAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — 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 (2 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-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 SRC 4225/4885PIK3CD 2956/4885PIK3CA 3212/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885PIK3CD 276/4885PIK3CA 269/4885

“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.

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