SCHEMBL9893818

SCHEMBL9893818

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.66
GRM5 P41594 3/20 0.41
IKBKB O14920 1/20 0.39
NOTUM Q6P988 1/20 0.39
JAK2 O60674 1/20 0.39
MAPT P10636 1/20 0.38
CD38 P28907 3/20 0.38
TGFBR1 P36897 2/20 0.37
PTPN11 Q06124 1/20 0.36
TGFBR2 P37173 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
SCHEMBL9893679 0.92 MDM2 (0.79) MDM2GRM5NOTUM
SCHEMBL1438330 0.91 MDM2 (0.67) MDM2GRM5NOTUMMAPTCD38
SCHEMBL9893678 0.89 MDM2 (0.62) MDM2GRM5JAK2TGFBR1
SCHEMBL1436891 0.87 MDM2 (0.85) MDM2IKBKBNOTUMMAPTPTPN11
SCHEMBL27862905 0.85 MDM2 (0.53) MDM2GRM5NOTUMJAK2CD38
SCHEMBL1436927 0.85 MDM2 (0.75) MDM2IKBKBNOTUMMAPTPTPN11
SCHEMBL1437096 0.83 MDM2 (0.79) MDM2GRM5NOTUM
SCHEMBL9893983 0.83 MDM2 (0.46) MDM2MAPT
SCHEMBL9894082 0.81 MDM2 (0.51) MDM2GRM5NOTUMTGFBR1
SCHEMBL9894128 0.80 MDM2 (0.85) MDM2NOTUMMAPT

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 2/4885GRM5 3019/4885IKBKB 770/4885

“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.