SCHEMBL17375392

SCHEMBL17375392

Nc1ncc(Cl)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
MAPKAPK2 P49137 10/20 0.36
GRM5 P41594 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PLAU P00749 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLP1R P43220 1/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL30863409 0.76 HTT (0.37) GRM5KDM4E
SCHEMBL670030 0.76 HTT (0.37) GRM5KDM4E
SCHEMBL2423171 0.76 ALDH1A1 (0.33) ALDH1A1PLAUGLP1RATF1NFKB1
SCHEMBL15065749 0.74 HSP90AA1 (0.39) MAPKAPK2GRM5KDM4EPIK3CD
SCHEMBL20839189 0.74 KDM4E (0.32) KDM4E
SCHEMBL30743728 0.74
SCHEMBL1560727 0.74
SCHEMBL17704240 0.74 NFKB1 (0.37) GRM5ALDH1A1KDM4EATF1NFKB1
SCHEMBL29334070 0.73
SCHEMBL913739 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160967-B1 N-(IMIDAZO[1,2-A]PYRAZIN-6-YL)-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
US-9975900-B2 Substituted imidazo[1,2-α]pyrazines for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2018-05-22 US disclosed
US-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 2017-07-13 US disclosed
EP-3160967-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. Hoffmann-La Roche AG (CH) 2017-05-03 EP disclosed
WO-2015197503-A1 IMIDAZO[1,2-A]PYRAZIN-1YL-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-12-30 WO 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-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, PYGM, GYS1 CDK2 1809/4885MAPKAPK2 4557/4885GRM5 467/4885

“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.