SCHEMBL9893828

SCHEMBL9893828

N#Cc1nc(C2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.69
GRM5 P41594 1/20 0.37
TGFBR1 P36897 2/20 0.35
TGFBR2 P37173 1/20 0.35
RPS6KB1 P23443 2/20 0.34
AKT1 P31749 2/20 0.34
GRM2 Q14416 1/20 0.34
PGR P06401 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL1437674 0.86 MDM2 (0.74) MDM2RPS6KB1AKT1GRM2PGR
SCHEMBL9893624 0.85 MDM2 (0.52) MDM2GRM5TGFBR1TGFBR2RPS6KB1
SCHEMBL1437319 0.84 MDM2 (0.51) MDM2GRM5TGFBR1TGFBR2
SCHEMBL1437320 0.83 MDM2 (0.59) MDM2GRM5GRM2
SCHEMBL1440143 0.83 MDM2 (0.50) MDM2GRM5TGFBR1TGFBR2
SCHEMBL9893723 0.82 MDM2 (1.00) MDM2PGR
SCHEMBL1437212 0.82 MDM2 (1.00) MDM2RPS6KB1AKT1PGR
SCHEMBL1440035 0.81 MDM2 (0.72) MDM2GRM2PGR
SCHEMBL1443242 0.80 MDM2 (0.52) MDM2GRM5TGFBR1TGFBR2
SCHEMBL1437504 0.80 MDM2 (0.52) MDM2

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 3019/4885TGFBR1 1293/4885

“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.