SCHEMBL20623409

SCHEMBL20623409

Cc1nn(-c2cc(F)cc(C#N)c2)c(C)c1I

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.42
GRM5 P41594 2/20 0.38
FADS1 O60427 1/20 0.36
SLC34A1 Q06495 2/20 0.35

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
SCHEMBL19120677 0.85 AR (0.44) ARGRM5FADS1SLC34A1
SCHEMBL19119858 0.84 LRRK2 (0.37) ARGRM5FADS1
SCHEMBL20623595 0.83 AR (0.41) ARGRM5FADS1SLC34A1
SCHEMBL19120715 0.82 GRM5 (0.34) ARGRM5FADS1SLC34A1
SCHEMBL20623411 0.81 AR (0.37) ARGRM5FADS1SLC34A1
SCHEMBL19120618 0.81 AR (0.35) ARGRM5FADS1SLC34A1
SCHEMBL20623410 0.80 AR (0.39) ARGRM5FADS1SLC34A1
SCHEMBL19120637 0.78 GRM5 (0.38) ARGRM5FADS1
SCHEMBL19120336 0.78 SQOR (0.35) ARGRM5FADS1SLC34A1
SCHEMBL19120175 0.77 FADS1 (0.36) ARGRM5FADS1

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-10941132-B2 Pyrazole derivatives HUA MEDICINE (SHANGHAI) LTD. (CN) 2021-03-09 US disclosed
US-20190002432-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2019-01-03 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 (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-10941132-B2 Pyrazole derivatives GRM5, GRIK5, GRIN2C AR 2898/4885GRM5 1/4885FADS1 3176/4885
US-20190002432-A1 PYRAZOLE DERIVATIVES GRM5, GRIK5, GRIN2C AR 2898/4885GRM5 1/4885FADS1 3176/4885

“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.