SCHEMBL9228697

SCHEMBL9228697

CNc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.49
▸ APP P05067 1/20 0.44
▸ SLC22A12 Q96S37 3/20 0.44
▸ KIF11 P52732 2/20 0.44
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ AR P10275 4/20 0.38

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
SCHEMBL6939525 0.82 TRPV4 (0.49) TRPV4SLC22A12KIF11PDK1PDK2
SCHEMBL3311500 0.79 CTSS (0.50) TRPV4SLC22A12PDK1PDK2PDK3
SCHEMBL25972898 0.78 ABCC9 (0.38) TRPV4SLC22A12KIF11PDK1PDK2
SCHEMBL7569957 0.77 TRPV4 (0.58) TRPV4SLC22A12KIF11PDK2AR
SCHEMBL409405 0.76 TRPV4 (0.53) TRPV4KIF11ALDH1A1AR
SCHEMBL9232027 0.76 MAP2K1 (0.42) KIF11PDK1PDK2PDK3PDK4
SCHEMBL13127247 0.75 PDE3B (0.52) APPKIF11MEN1ALOX15TSHR
SCHEMBL7604551 0.75 TRPV4 (0.56) TRPV4SLC22A12KIF11PDK2TSHR
SCHEMBL22819242 0.75 BACE2 (0.42) TRPV4PDK1PDK2PDK3PDK4
SCHEMBL8225797 0.74 TRPV4 (0.56) TRPV4SLC22A12KIF11KDM4EALDH1A1

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 7 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-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
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — US disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 — — US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 — — US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 — — 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 TRPV4 246/4885APP 3857/4885SLC22A12 870/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A TRPV4 2737/4885APP 7/4885SLC22A12 4817/4885

“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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