SCHEMBL9893836

SCHEMBL9893836

CCOC(=O)c1cn(-c2cccc(Cl)c2F)c(CC(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 17/20 0.45
GABRB2 P47870 17/20 0.45
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
PDE4B Q07343 1/20 0.39

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
SCHEMBL14692500 0.86 GABRA2 (0.51) GABRA2GABRB2GAACYP1A2PDE4B
SCHEMBL9894021 0.82 GABRA2 (0.43) GABRA2GABRB2GAACYP1A2
SCHEMBL1442132 0.81 GABRA2 (0.42) GABRA2GABRB2GAA
SCHEMBL1437310 0.81 GABRA2 (0.69) GABRA2GABRB2
SCHEMBL1438374 0.80 GABRA2 (0.66) GABRA2GABRB2CYP1A2
SCHEMBL9894431 0.79 TGFBR1 (0.57) GABRA2GABRB2GAACYP1A2
SCHEMBL9893664 0.79 GABRA2 (0.54) GABRA2GABRB2
SCHEMBL9894373 0.78 MDM2 (0.39) GABRA2GABRB2CYP1A2PDE4B
SCHEMBL1437424 0.78 GABRA2 (0.67) GABRA2GABRB2
SCHEMBL1437375 0.77 MDM2 (0.45) GABRA2GABRB2GAA

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 GABRA2 4293/4885GABRB2 4278/4885GAA 2555/4885

“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.