SCHEMBL9894658

SCHEMBL9894658

Cn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(F)(F)F)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 3/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
SMO Q99835 4/20 0.35
CDC7 O00311 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
SRC P12931 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL9894887 0.84 PDE2A (0.35) SMOKDM4EALDH1A1SMN1; SMN2KCNH2
SCHEMBL27933840 0.82 KDM4C (0.42) CSNK1DCSNK1E
SCHEMBL9895465 0.81 TNIK (0.41)
SCHEMBL9894510 0.79 RAB9A (0.42) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL9894488 0.77 GABRA5 (0.43) CSNK1DCSNK1EPSEN1PSEN2APH1B
SCHEMBL9895072 0.77 MAPT (0.35) SMOKDM4EALDH1A1SMN1; SMN2KCNH2
SCHEMBL9895436 0.73 GABRA5 (0.42) CSNK1DCSNK1EKCNH2
SCHEMBL9895449 0.73 GABRA5 (0.53)
SCHEMBL9894928 0.72 MAPK14 (0.47) CSNK1DALDH1A1
SCHEMBL9947559 0.71 MAP4K4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP claimed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP claimed
CN-103249728-A Novel triazole compounds III HOFFMANN LA ROCHE 2013-08-14 CN claimed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US claimed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US claimed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
CN-103249728-A Novel triazole compounds III HOFFMANN LA ROCHE 2013-08-14 CN disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 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-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 SLC34A1 1279/4885CSNK1D 805/4885CSNK1E 979/4885

“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.