SCHEMBL2136735

SCHEMBL2136735

Cc1cccn2cc(C(=O)Nc3nc4cc(-c5cc(C(F)(F)F)ccc5F)ccc4[nH]3)nc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.38
P2RY14 Q15391 1/20 0.37
KDR P35968 6/20 0.37
TEK Q02763 6/20 0.37
MTOR P42345 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
ABL1 P00519 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAF1 P04049 1/20 0.34

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
SCHEMBL2138344 0.90 MTOR (0.41) P2RY14MTORCSNK1DCSNK1EKDM4E
SCHEMBL2133800 0.89 NPC1 (0.39) DDR2P2RY14MTORKDM4ERAF1
SCHEMBL2136538 0.86 NPC1 (0.36) P2RY14MTORABL1KDM4EALDH1A1
SCHEMBL2134868 0.86 NPC1 (0.38) P2RY14MTORABL1KDM4EALDH1A1
SCHEMBL2135220 0.85 NPC1 (0.39) CSNK1DCSNK1EABL1KDM4EALDH1A1
SCHEMBL2133207 0.84 NPC1 (0.38) ABL1KDM4EALDH1A1
SCHEMBL2135031 0.83 NPC1 (0.47) ABL1KDM4EALDH1A1
SCHEMBL2135790 0.83 PDE2A (0.37) ABL1KDM4EALDH1A1
SCHEMBL2136484 0.83 NPC1 (0.42) ABL1KDM4EALDH1A1
SCHEMBL2133828 0.82 NPC1 (0.40) DDR2P2RY14KDRTEKMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US claimed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 WO 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP DDR2 3491/4885P2RY14 1323/4885KDR 3559/4885

“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.