SCHEMBL4707339

SCHEMBL4707339

ON=Cc1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KDR P35968 2/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
P2RX7 Q99572 5/20 0.36
IDH1 O75874 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP2A6 P11509 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 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
SCHEMBL4705254 0.88 ALDH1A1 (0.41) POLBHTTL3MBTL1
SCHEMBL4708361 0.87 USP2 (0.37) POLBGRIN1GRIN2BCYP3A4HTT
SCHEMBL4638543 0.81 POLB (0.41) POLBKDRGRIN1GRIN2BP2RX7
SCHEMBL4637742 0.79 ALDH1A1 (0.52) POLBKDRGRIN1GRIN2BP2RX7
SCHEMBL4637999 0.76 IDH1 (0.46) KDRIDH1EGFRFGFR1
SCHEMBL4706583 0.76 HTT (0.36) POLBHTTL3MBTL1
SCHEMBL4637833 0.75 CYP19A1 (0.59) KDRIDH1GPBAR1
SCHEMBL4638013 0.74 ALDH1A1 (0.44) POLBGPBAR1HTTL3MBTL1
SCHEMBL4759295 0.73 POLB (0.37) POLBKDRGRIN1GRIN2BP2RX7
SCHEMBL5633626 0.73 IDH1 (0.42) POLBGRIN1GRIN2BP2RX7IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 POLB 4783/4885KDR 600/4885GRIN1 330/4885

“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.