SCHEMBL9893678

SCHEMBL9893678

CCOC(=O)c1nc(-c2cccc(C)n2)n(-c2cccc(Cl)c2F)c1-c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.62
GABRA2 P47869 4/20 0.43
GABRB2 P47870 4/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 1/20 0.39
ELANE P08246 1/20 0.39
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL1438098 0.92 MDM2 (0.62) MDM2GABRA2GABRB2ALDH1A1GRM5
SCHEMBL9894477 0.89 MDM2 (0.77) MDM2GABRA2GABRB2TRPM8ALDH1A1
SCHEMBL9893818 0.89 MDM2 (0.66) MDM2GRM5JAK2TGFBR1
SCHEMBL9893679 0.89 MDM2 (0.79) MDM2GRM5
SCHEMBL1437392 0.88 MDM2 (0.68) MDM2GABRA2GABRB2TRPM8L3MBTL1
SCHEMBL9893992 0.87 MDM2 (0.62) MDM2GABRA2GABRB2TRPM8L3MBTL1
SCHEMBL1437142 0.87 MDM2 (0.68) MDM2GABRA2GABRB2TRPM8ALDH1A1
SCHEMBL9893417 0.86 MDM2 (0.44) MDM2GABRA2GABRB2
SCHEMBL1437573 0.84 MDM2 (0.41) MDM2GABRA2GABRB2ALDH1A1KDM4E
SCHEMBL9894464 0.83 MDM2 (0.77) MDM2GABRA2GABRB2ALDH1A1

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 2/4885GABRA2 4293/4885GABRB2 4278/4885

“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.