SCHEMBL9894082

SCHEMBL9894082

Cc1cccc(-c2nc(C#N)c(-c3cccc(Cl)c3)n2-c2cccc(Cl)c2F)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.51
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GRM5 P41594 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAP3K8 P41279 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1438308 0.91 MDM2 (0.52) MDM2KDM4EGRM5TGFBR1MAP3K8
SCHEMBL1437227 0.86 MDM2 (0.67) MDM2CTSSCTSKALOX15KDM4E
SCHEMBL1437222 0.83 TP53 (0.38) MDM2HPGD
SCHEMBL9893818 0.81 MDM2 (0.66) MDM2GRM5TGFBR1NOTUM
SCHEMBL9893679 0.81 MDM2 (0.79) MDM2GRM5NOTUM
SCHEMBL9894537 0.79 MDM2 (0.68) MDM2GRM5ADORA2AADORA1NOTUM
SCHEMBL9893678 0.78 MDM2 (0.62) MDM2KDM4EALDH1A1GRM5TGFBR1
SCHEMBL1437264 0.77 MDM2 (0.53) MDM2TGFBR1
SCHEMBL27862905 0.75 MDM2 (0.53) MDM2GRM5TGFBR1NOTUM
SCHEMBL9893712 0.73 MDM2 (0.55) MDM2ALOX15HPGDNOTUM

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 2/4885CTSS 3266/4885CTSK 4042/4885

“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.