SCHEMBL9894980

SCHEMBL9894980

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
RORC P51449 5/20 0.38
RARG P13631 1/20 0.38
MAP4K4 O95819 1/20 0.36
KDM4C Q9H3R0 3/20 0.36
KDM5A P29375 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
IGF1R P08069 2/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 2/20 0.34
LMNA P02545 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9895366 0.91 MAP4K4 (0.37) EGLN1MAP4K4CYP1A2CYP3A4CYP2D6
SCHEMBL9894706 0.90 MAPT (0.45) EGLN1IGF1RKMT2ADHODHIDO1
SCHEMBL9895060 0.89 KDM5A (0.36) EGLN1KDM4CKDM5AKDM5BDHODH
SCHEMBL9894972 0.87 CYP1A2 (0.36) EGLN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL21402167 0.83 KMT2A (0.38) EGLN1KMT2ADHODH
SCHEMBL27933840 0.80 KDM4C (0.42) MAP4K4KDM4CKDM5AKDM5BKMT2A
SCHEMBL9895921 0.80 HTR5A (0.36) MAP4K4
SCHEMBL9895403 0.79 RAB9A (0.45) KMT2ADHODHLMNAIDO1TDO2
SCHEMBL9895430 0.77 GABRA5 (0.44) EGLN1
SCHEMBL9894802 0.75 MAPK14 (0.43) CYP2C9

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 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
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 EGLN1 2395/4885RORC 350/4885RARG 1141/4885

“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.