SCHEMBL9893574

SCHEMBL9893574

Cc1cc(C(N)=O)c(-n2c(C3CCCCC3)nc(C(N)=O)c2-c2ccc(F)c(Cl)c2)c(F)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.68
PIK3R2 O00459 1/20 0.39
CASP1 P29466 1/20 0.36
RPS6KB1 P23443 2/20 0.34
AKT1 P31749 2/20 0.34
PGR P06401 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 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
SCHEMBL28796451 0.83 MDM2 (0.59) MDM2KCNH2NR1H4
SCHEMBL9893830 0.82 MDM2 (0.75) MDM2PIK3R2
SCHEMBL1437212 0.81 MDM2 (1.00) MDM2PIK3R2CASP1RPS6KB1AKT1
SCHEMBL9893719 0.81 MDM2 (0.73) MDM2PIK3R2RPS6KB1AKT1PGR
SCHEMBL1437475 0.80 MDM2 (0.71) MDM2PIK3R2RPS6KB1AKT1
SCHEMBL1436811 0.79 MDM2 (0.70) MDM2PIK3R2RPS6KB1AKT1PGR
SCHEMBL1438271 0.79 MDM2 (0.67) MDM2PIK3R2RPS6KB1AKT1KCNH2
SCHEMBL1436936 0.76 MDM2 (0.63) MDM2PIK3R2RPS6KB1AKT1KCNJ6
SCHEMBL9893728 0.76 MDM2 (0.68) MDM2PIK3R2RPS6KB1AKT1PGR
SCHEMBL1437396 0.75 MDM2 (0.72) MDM2PIK3R2RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885PIK3R2 2033/4885CASP1 2039/4885

“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.