SCHEMBL30015038

SCHEMBL30015038

FC(F)(F)c1ccc(-c2cnc3cn[nH]c3n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 7/20 0.44
▸ GRIN1 Q05586 6/20 0.37
▸ SGK1 O00141 3/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ ILK Q13418 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ TRPA1 O75762 2/20 0.31

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
SCHEMBL29901461 0.74 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL19439599 0.67 DAO (0.48) GRIN2BGRIN1TRPV3ALDH1A1HPGD
SCHEMBL30014865 0.65 SGK1 (0.49) GRIN2BSGK1NPC1RAB9ASMN1; SMN2
SCHEMBL16801819 0.65 DAO (0.46) GRIN2BGRIN1TRPV3KDM4ENPC1
SCHEMBL25207314 0.64 RET (0.41) SGK1KDM4EALDH1A1GAAHPGD
SCHEMBL27224375 0.64 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL30015344 0.64 GRIN2B (0.42) GRIN2BSGK1TRPV3PDE3BPDE3A
SCHEMBL22772840 0.63 SGK1 (0.50) GRIN2BGRIN1SGK1
SCHEMBL30014996 0.63 SGK1 (0.47) GRIN2BSGK1NPC1RAB9ASMN1; SMN2
SCHEMBL30014845 0.63 BCHE (0.61) GRIN2BSGK1METAP2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315590-A1 SUBSTITUTED PYRAZOLO-PYRAZINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 — — 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-20220315590-A1 SUBSTITUTED PYRAZOLO-PYRAZINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885GRIN1 5/4885SGK1 754/4885

“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.

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