SCHEMBL2228174

SCHEMBL2228174

COc1cc(Nc2nc3c(-c4ccccc4C(F)(F)F)cccn3n2)ccc1-c1ocnc1C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.49
JAK3 P52333 19/20 0.49
PTK2 Q05397 15/20 0.46
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 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
SCHEMBL2230469 0.85 JAK2 (0.47) JAK2JAK3PTK2
SCHEMBL2227596 0.79 PSEN1 (0.55) JAK2JAK3PTK2
SCHEMBL2229898 0.78 PSEN1 (0.53) IMPDH2IMPDH1
SCHEMBL2228593 0.74 PSEN1 (0.51) JAK2JAK3PTK2
SCHEMBL12518222 0.73 PSEN1 (0.57)
SCHEMBL1360167 0.72 IMPDH2 (0.46) IMPDH2IMPDH1
SCHEMBL1358579 0.71 IMPDH2 (0.48) IMPDH2IMPDH1
SCHEMBL2227560 0.69 JAK2 (0.53) JAK2JAK3PTK2
SCHEMBL13837007 0.69 PSEN1 (0.67)
SCHEMBL16418197 0.68 IMPDH2 (0.46) IMPDH2IMPDH1

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-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
EP-2523955-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals Inc. (US) 2012-11-21 EP disclosed
WO-2011086098-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 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-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A JAK2 4105/4885JAK3 3487/4885PTK2 2617/4885

“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.