SCHEMBL9894928

SCHEMBL9894928

Cn1nnc(-c2ccc(F)cc2)c1-c1cn(-c2ccc(C(=O)O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
CSNK1D P48730 2/20 0.47
KDM4C Q9H3R0 4/20 0.44
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
KDM4A O75164 1/20 0.44
MAP4K4 O95819 2/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
TNIK Q9UKE5 1/20 0.38
ADH5 P11766 4/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
MAP2K4 P45985 1/20 0.37
MAPK6 Q16659 1/20 0.37
PTGER4 P35408 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL9894845 0.92 MAP4K4 (0.41) MAPK14CSNK1DKDM4CKDM5AKDM5B
SCHEMBL9895019 0.91 MAP4K4 (0.53) MAPK14CSNK1DKDM4CKDM5AKDM5B
SCHEMBL9895487 0.89 MAPK14 (0.43) MAPK14CSNK1DMAP4K4MEN1ALDH1A1
SCHEMBL27933840 0.87 KDM4C (0.42) MAPK14CSNK1DKDM4CKDM5AKDM5B
SCHEMBL9894907 0.86 GABRA5 (0.44) MAPK14CSNK1DMAP4K4TNIKPTGER4
SCHEMBL27933718 0.85 MAPK1 (0.35) MAPK14CSNK1DKDM4CKDM5AKDM5B
SCHEMBL21416236 0.84 ALDH1A1 (0.43) MAPK14MEN1ALDH1A1RAB9AKMT2A
SCHEMBL27933694 0.82 KDM4C (0.55) MAPK14CSNK1DKDM4CKDM5AKDM5B
SCHEMBL9898195 0.82 MAPK14 (0.37) MAPK14CSNK1DKDM4CKDM5AKDM5B
SCHEMBL9895619 0.82 GABRA5 (0.47) MAPK14MAP4K4

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 6 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 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-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 MAPK14 4554/4885CSNK1D 805/4885KDM4C 2516/4885

“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.