SCHEMBL9894425

SCHEMBL9894425

COc1ccc(Cl)cc1-c1c(C#N)nc(-c2cccc(C)c2)n1-c1cccc(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 15/20 0.43
TP53 P04637 5/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MDM4 O15151 4/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CTSA P10619 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9894216 0.94 MDM2 (0.50) MDM2TP53USP2HPGDMDM4
SCHEMBL9894475 0.91 MDM2 (0.41) MDM2TP53USP2HPGDALDH1A1
SCHEMBL9893819 0.88 MDM2 (0.50) MDM2TP53USP2HPGDALDH1A1
SCHEMBL1437222 0.86 TP53 (0.38) MDM2TP53USP2HPGDMDM4
SCHEMBL9893788 0.83 MDM2 (0.53) MDM2TP53USP2HPGDALDH1A1
SCHEMBL9893923 0.83 MDM2 (0.63) MDM2TP53HPGDALDH1A1TSHR
SCHEMBL9893649 0.81 MDM2 (0.52) MDM2TP53ALDH1A1TSHRMDM4
SCHEMBL9893792 0.81 MDM2 (0.48) MDM2TP53USP2HPGDMDM4
SCHEMBL1437087 0.79 MDM2 (0.48) MDM2TP53ALDH1A1MDM4MAPT
SCHEMBL9893712 0.79 MDM2 (0.55) MDM2TP53HPGDMAPTTHRB

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 2/4885TP53 3/4885USP2 796/4885

“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.