SCHEMBL16809394

SCHEMBL16809394

CONc1ccn2cc(-c3cc(F)ccc3F)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 18/20 0.46
FFAR1 O14842 1/20 0.44
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL16320071 0.82 SUV39H2 (0.46) SUV39H2FFAR1
SCHEMBL16003620 0.81 FFAR1 (0.47) SUV39H2FFAR1
SCHEMBL16003628 0.80 SUV39H2 (0.52) SUV39H2FFAR1
SCHEMBL16003621 0.77 SUV39H2 (0.51) SUV39H2FFAR1TLR9TLR7
Hydrochloric Acid SCHEMBL16320532 0.76 SUV39H2 (0.51) SUV39H2FFAR1TLR9TLR7
SCHEMBL16003643 0.75 FFAR1 (0.48) SUV39H2FFAR1TLR9TLR7
SCHEMBL28338230 0.74 FFAR1 (0.47) SUV39H2FFAR1TLR9TLR7
SCHEMBL16320567 0.71 FFAR1 (0.45) SUV39H2FFAR1TLR9TLR7
SCHEMBL31091930 0.70 SUV39H2 (0.43) SUV39H2FFAR1
SCHEMBL1691855 0.69 FFAR1 (0.42) SUV39H2FFAR1TLR9TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A SUV39H2 2386/4885FFAR1 1577/4885TLR9 4391/4885

“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.