SCHEMBL9893872

SCHEMBL9893872

NC(=O)c1ncn(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.59
HCAR1 Q9BXC0 1/20 0.41
CASP1 P29466 1/20 0.40
TGFBR1 P36897 8/20 0.38
TGFBR2 P37173 7/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CHRNA7 P36544 1/20 0.36
KMO O15229 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
SCHEMBL1437484 0.87 MDM2 (0.54) MDM2HCAR1CHRNA7KMO
SCHEMBL9894128 0.80 MDM2 (0.85) MDM2CASP1KMO
SCHEMBL1437294 0.80 MDM2 (0.67) MDM2CASP1GRIN1GRIN2BKMO
SCHEMBL1436927 0.78 MDM2 (0.75) MDM2CASP1GRIN1GRIN2B
SCHEMBL1437796 0.77 MDM2 (0.47) MDM2HCAR1TGFBR1TGFBR2GRIN1
SCHEMBL9894004 0.75 MDM2 (0.67) MDM2CASP1
SCHEMBL1437291 0.75 MDM2 (0.70) MDM2CASP1CHRNA7
SCHEMBL1438330 0.75 MDM2 (0.67) MDM2CASP1TGFBR1TGFBR2
SCHEMBL1436932 0.75 MDM2 (0.61) MDM2CASP1TGFBR1TGFBR2GRIN1
SCHEMBL1437289 0.75 MDM2 (0.71) MDM2TGFBR1TGFBR2

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 2/4885HCAR1 1812/4885CASP1 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.