SCHEMBL29901554

SCHEMBL29901554

Fc1ccc(-c2cnc3cn[nH]c3c2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 14/20 0.52
GRIN1 Q05586 6/20 0.52
PIK3CA P42336 1/20 0.45
TRPA1 O75762 4/20 0.44
DYRK1A Q13627 1/20 0.41
TRPM8 Q7Z2W7 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
SCHEMBL22771356 0.89 GRIN2B (0.51) GRIN2BGRIN1DYRK1A
SCHEMBL30133030 0.84 PDGFRB (0.48) GRIN2BGRIN1TRPA1DYRK1A
SCHEMBL28214572 0.81 GRIN2B (0.47) GRIN2BGRIN1PIK3CA
SCHEMBL29525440 0.80 TGFBR1 (0.52) GRIN2BGRIN1
SCHEMBL30133051 0.80 RAF1 (0.47) GRIN2BGRIN1PIK3CADYRK1A
SCHEMBL22771445 0.80 TGFBR1 (0.52) GRIN2BGRIN1
SCHEMBL17759256 0.80 METAP2 (0.49) GRIN2BGRIN1DYRK1A
SCHEMBL22771417 0.79 GRIN2B (0.51) GRIN2BGRIN1
SCHEMBL29901465 0.77 GRIN2B (0.53) GRIN2BGRIN1PIK3CADYRK1A
SCHEMBL29525098 0.77 DYRK1A (0.49) GRIN2BGRIN1TRPA1DYRK1A

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 4 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-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-20220324860-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-10-13 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 (4 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 1/4885GRIN1 6/4885PIK3CA 1912/4885
US-20220274984-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885GRIN1 6/4885PIK3CA 1912/4885
US-20220324860-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A GRIN2B 1/4885GRIN1 7/4885PIK3CA 1537/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885GRIN1 6/4885PIK3CA 1912/4885

“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.