SCHEMBL9895366

SCHEMBL9895366

Cn1nnc(-c2ccccc2Cl)c1-c1cn(-c2ccc(C(N)=O)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HTR5A P47898 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 6/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 1/20 0.33
DYRK1A Q13627 1/20 0.32
CHEK2 O96017 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
BRD4 O60885 2/20 0.32
SMO Q99835 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
SCHEMBL9894980 0.91 EGLN1 (0.43) MAP4K4EGLN1CYP1A2CYP3A4CYP2D6
SCHEMBL9895921 0.89 HTR5A (0.36) MAP4K4HTR5AHSP90AA1DYRK1ARAB9A
SCHEMBL9947559 0.82 MAP4K4 (0.39) MAP4K4HSP90AA1DYRK1A
SCHEMBL9895465 0.81 TNIK (0.41) MAP4K4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9895060 0.80 KDM5A (0.36) EGLN1HTR5ARAB9A
SCHEMBL21402167 0.79 KMT2A (0.38) DPP4DPP8EGLN1
SCHEMBL9895403 0.78 RAB9A (0.45) MAPTRAB9A
SCHEMBL9895430 0.76 GABRA5 (0.44) EGLN1MAPTRAB9A
SCHEMBL9894802 0.74 MAPK14 (0.43) CYP2C9
SCHEMBL21416221 0.74 ALDH1A1 (0.45) EGLN1HSD17B10MAPTRAB9A

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 16 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
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US claimed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US claimed
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
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
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
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
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 MAP4K4 4100/4885DPP4 2917/4885DPP8 3691/4885

“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.