SCHEMBL29901476

SCHEMBL29901476

Fc1ccc(-c2cnc3c(Br)n[nH]c3c2)cc1C(F)F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 18/20 0.41
KCNH2 Q12809 7/20 0.41
GRIN1 Q05586 12/20 0.41
TRPA1 O75762 1/20 0.39

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
SCHEMBL22774941 1.00 GRIN2B (0.41) GRIN2BKCNH2GRIN1TRPA1
SCHEMBL22774734 0.86 GRIN2B (0.43) GRIN2BKCNH2GRIN1TRPA1
SCHEMBL22771414 0.84 KCNH2 (0.51) GRIN2BKCNH2GRIN1
SCHEMBL29901458 0.76 GRIN2B (0.45) GRIN2BKCNH2GRIN1TRPA1
SCHEMBL22775318 0.76 GRIN2B (0.45) GRIN2BKCNH2GRIN1
SCHEMBL22771417 0.74 GRIN2B (0.51) GRIN2BKCNH2GRIN1
SCHEMBL30133031 0.72 TRPA1 (0.53) GRIN2BGRIN1TRPA1
SCHEMBL29901531 0.71 GRIN2B (0.46) GRIN2BKCNH2GRIN1
SCHEMBL22775262 0.69 GRIN2B (0.46) GRIN2BKCNH2GRIN1
SCHEMBL29901513 0.69 GRIN2B (0.44) GRIN2BGRIN1TRPA1

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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-20220274984-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885KCNH2 2725/4885GRIN1 6/4885
US-20220274984-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885KCNH2 2725/4885GRIN1 6/4885

“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.