SCHEMBL18706366

SCHEMBL18706366

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
HSD11B1 P28845 1/20 0.41
P2RY14 Q15391 2/20 0.40
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
TRPA1 O75762 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
ANO1 Q5XXA6 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL18706169 0.91 P2RY14 (0.40) P2RY14
SCHEMBL18706006 0.90 POLB (0.37) CNR1HSD11B1P2RY14ANO1POLB
SCHEMBL18706493 0.90 CNR2 (0.42) CNR1HSD11B1ANO1MAPT
SCHEMBL18706206 0.90 P2RY14 (0.42) P2RY14PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18706466 0.89 HSD11B1 (0.36) CNR1HSD11B1P2RY14ANO1
SCHEMBL18706017 0.88 P2RY14 (0.39) CNR1HSD11B1P2RY14PRKAB2PRKAG1
SCHEMBL18706262 0.88 HPGDS (0.40) P2RY14TP53POLB
SCHEMBL18706001 0.88 P2RY14 (0.53) P2RY14
SCHEMBL18706194 0.87 P2RY14 (0.37) CNR1HSD11B1P2RY14PRKAB2PRKAG1
SCHEMBL18706302 0.87 XDH (0.41) P2RY14PRKAB2PRKAG1PRKAA2PRKAA1

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 13 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
WO-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 WO 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
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 CNR1 120/4885HSD11B1 104/4885P2RY14 3532/4885
US-10273217-B2 Triazole derivatives MC2R, MC3R, OXTR CNR1 120/4885HSD11B1 104/4885P2RY14 3532/4885

“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.