SCHEMBL13977974

SCHEMBL13977974

Cn1nc(N)nc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
IDH2 P48735 4/20 0.52
PSEN1 P49768 4/20 0.49
PSEN2 P49810 4/20 0.49
APH1B Q8WW43 4/20 0.49
NCSTN Q92542 4/20 0.49
APH1A Q96BI3 4/20 0.49
PSENEN Q9NZ42 4/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.48
CREBBP Q92793 1/20 0.46
BRAF P15056 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46

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
SCHEMBL13973822 0.82 METAP2 (0.38) MAPTLMNAKDM4EPSEN1PSEN2
SCHEMBL13963173 0.79 EGFR (0.44) BRAFRAPGEF4
SCHEMBL15606534 0.78 AKR1C3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13963175 0.78 HDAC6 (0.46) KDM4EGAABCDIN3D
SCHEMBL13963178 0.76 RAB9A (0.44) MAPTKDM4ERAB9ASMN1; SMN2CREBBP
SCHEMBL28449187 0.74 MAPT (0.83) MAPTLMNAKDM4EIDH2ALDH1A1
SCHEMBL30568865 0.74 MAPT (0.83) MAPTLMNAKDM4EIDH2MAPK1
SCHEMBL3840893 0.73 GAA (0.65) MAPTLMNAKDM4EIDH2GAA
SCHEMBL12945006 0.73 MAPT (0.56) MAPTLMNAKDM4EIDH2ALDH1A1
SCHEMBL31272017 0.73 IDH2 (0.47) MAPTLMNAKDM4EIDH2ALDH1A1

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
US-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 US disclosed
EP-2523949-B1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 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-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAPT 2296/4885LMNA 1754/4885KDM4E 3415/4885

“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.