SCHEMBL18706296

SCHEMBL18706296

CC(C)c1nncn1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.37
MAPK13 O15264 1/20 0.34
WDR5 P61964 1/20 0.34
P2RY14 Q15391 2/20 0.34
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
HPGDS O60760 1/20 0.33
MMP13 P45452 1/20 0.32
TYRO3 Q06418 1/20 0.31
FGFR1 P11362 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL18705933 0.91 IDO1 (0.33) TTKMAPK13WDR5P2RY14CNR1
SCHEMBL18706315 0.91 P2RY14 (0.43) P2RY14
SCHEMBL18706466 0.91 HSD11B1 (0.36) P2RY14P2RX3P2RX2TYRO3CNR1
SCHEMBL18706206 0.89 P2RY14 (0.42) TTKP2RY14FGFR1CNR2
SCHEMBL18706534 0.87 DGAT1 (0.35) TTKMAPK13WDR5P2RY14HPGDS
SCHEMBL18706279 0.86 POLB (0.37) TTKP2RY14P2RX3P2RX2FGFR1
SCHEMBL18706478 0.86 CNR2 (0.42) TTKP2RY14CNR1CNR2
SCHEMBL18172501 0.85 P2RX3 (0.37) TTKWDR5P2RY14P2RX3P2RX2
SCHEMBL18285359 0.85 TTK (0.38) TTKMAPK13WDR5P2RX3P2RX2
SCHEMBL18706012 0.84 WDR5 (0.37) TTKWDR5P2RY14HPGDSTYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137566-B Triazole derivatives 豪夫迈·罗氏有限公司 2021-05-25 CN claimed
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP claimed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US claimed
US-20180237401-A1 TRIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US claimed
CN-108137566-B Triazole derivatives 豪夫迈·罗氏有限公司 2021-05-25 CN disclosed
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US disclosed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US disclosed
US-20180237401-A1 TRIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US disclosed
WO-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 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 (2 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-20180237401-A1 TRIAZOLE DERIVATIVES MC2R, MC3R, OXTR TTK 1925/4885MAPK13 2764/4885WDR5 2218/4885
US-10273217-B2 Triazole derivatives MC2R, MC3R, OXTR TTK 1925/4885MAPK13 2764/4885WDR5 2218/4885

“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.