SCHEMBL9219782

SCHEMBL9219782

Cc1cn(-c2ccc(C(=O)Nc3nccc(-c4ccccc4C(F)(F)F)n3)cc2CO)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.47
LDLR P01130 9/20 0.47
PCSK9 Q8NBP7 9/20 0.47
ABL1 P00519 8/20 0.47
PDGFRB P09619 7/20 0.47
LCK P06239 4/20 0.43
LYN P07948 4/20 0.43
PDGFRA P16234 4/20 0.43
FLT3 P36888 4/20 0.43
DDR2 Q16832 4/20 0.43
ADORA3 P0DMS8 2/20 0.43
BCR P11274 2/20 0.43
SRC P12931 2/20 0.43
EPHB6 O15197 1/20 0.43
CA12 O43570 1/20 0.43
CACNA1F O60840 1/20 0.43
SLC22A3 O75751 1/20 0.43
STK10 O94804 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL9284878 0.87 PSEN1 (0.53) KITLDLRPCSK9ABL1PDGFRB
SCHEMBL9229486 0.74 PSEN1 (0.46) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL9226835 0.71 PSEN1 (0.43) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL9221594 0.70 PSEN1 (0.47) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1653907 0.68 ABL1 (0.75) KITLDLRPCSK9ABL1PDGFRB
SCHEMBL3530581 0.68 ABL1 (0.74) KITLDLRPCSK9ABL1PDGFRB
SCHEMBL19404656 0.66 ABL1 (0.85) KITLDLRPCSK9ABL1PDGFRB
SCHEMBL20144388 0.66 BRAF (0.50) KITLDLRPCSK9ABL1BCR
SCHEMBL16469666 0.66 ABL1 (0.72) KITLDLRPCSK9ABL1PDGFRB
SCHEMBL6853609 0.66 PSEN1 (0.65) CYP3A4PSEN1PSEN2APH1BNCSTN

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KIT 1382/4885LDLR 1718/4885PCSK9 806/4885

“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.