SCHEMBL6385997

SCHEMBL6385997

Nc1cncc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2-c2cncnc2)c1C(=O)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORB Q92753 13/20 0.42
RORC P51449 6/20 0.42
GRM2 Q14416 1/20 0.35
TACR1 P25103 1/20 0.34
CDC7 O00311 1/20 0.33
IDH1 O75874 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL4706766 0.90 RORB (0.43) RORBRORCGRM2TACR1CDC7
SCHEMBL4708632 0.87 RORB (0.42) RORBRORCGRM2TACR1CDC7
SCHEMBL4708296 0.86 RORB (0.41) RORBRORCGRM2TACR1IDH1
SCHEMBL4707765 0.86 RORB (0.40) RORBRORCGRM2TACR1IDH1
SCHEMBL4705482 0.82 RORB (0.41) RORBRORCGRM2TACR1IDH1
SCHEMBL4705450 0.82 RORB (0.42) RORBRORCGRM2CDC7GABRA2
SCHEMBL6389497 0.82 IDH1 (0.42) RORBRORCCDC7IDH1GABRA2
SCHEMBL4705403 0.82 RORB (0.41) RORBRORCGRM2CDC7IDH1
SCHEMBL4707133 0.82 RORB (0.40) RORBRORCGRM2TACR1IDH1
SCHEMBL4707207 0.81 RORB (0.40) RORBRORCGRM2TACR1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US claimed

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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 RORB 2614/4885RORC 2723/4885GRM2 2864/4885

“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.