SCHEMBL20150816

SCHEMBL20150816

N#Cc1ccc(/C=N/O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
PIN1 Q13526 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1G2 P78368 1/20 0.36
RAD51 Q06609 1/20 0.36

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
SCHEMBL7375104 1.00 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7375106 1.00 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL923755 0.86 P4HB (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12907073 0.86 P4HB (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5045603 0.80 MAPT (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1797415 0.79 VCAM1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1797414 0.79 VCAM1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25042671 0.78 TRPV4 (0.45) PIN1MAPTSMN1; SMN2KIF11
SCHEMBL30275270 0.78 TRPV4 (0.45) PIN1MAPTSMN1; SMN2KIF11
SCHEMBL28952492 0.78 TRPV4 (0.45) PIN1MAPTSMN1; SMN2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 WO disclosed
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-08-06 US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 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-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 GRIN2D 239/4885GRIN3B 80/4885GRIN1 200/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 GRIN2D 242/4885GRIN3B 84/4885GRIN1 174/4885

“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.