SCHEMBL9894537

SCHEMBL9894537

N#Cc1nc(-c2ccccc2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.68
GRM5 P41594 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL1437227 0.92 MDM2 (0.67) MDM2ADORA2AADORA1NOTUMSMN1; SMN2
SCHEMBL1438308 0.86 MDM2 (0.52) MDM2GRM5GRIN1GRIN2BNOTUM
SCHEMBL9893680 0.86 MDM2 (0.52) MDM2GRIN1GRIN2BNOTUM
SCHEMBL1443242 0.85 MDM2 (0.52) MDM2GRM5ADORA2AADORA1GRIN1
SCHEMBL9893622 0.85 MDM2 (0.66) MDM2ADORA2AADORA1
SCHEMBL1437184 0.84 MDM2 (0.73) MDM2GRM5ADORA2AADORA1NOTUM
SCHEMBL1437381 0.82 MDM2 (0.49) MDM2GRIN1GRIN2B
SCHEMBL9893712 0.82 MDM2 (0.55) MDM2NOTUMSMN1; SMN2
SCHEMBL9893724 0.81 MDM2 (1.00) MDM2ADORA2AADORA1NOTUM
SCHEMBL9894084 0.81 MDM2 (0.72) MDM2GRM5ADORA2AADORA1NOTUM

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
CN-102574785-A Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators NOVARTIS AG 2012-07-11 CN disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MDM2 2/4885GRM5 3019/4885ADORA2A 3296/4885

“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.