SCHEMBL9893622

SCHEMBL9893622

N#CCc1nc(-c2ccccc2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.66
CNR1 P21554 8/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 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
SCHEMBL9894084 0.86 MDM2 (0.72) MDM2ADORA2AADORA1
SCHEMBL9894537 0.85 MDM2 (0.68) MDM2ADORA2AADORA1
SCHEMBL1437184 0.82 MDM2 (0.73) MDM2ADORA2AADORA1
SCHEMBL9893792 0.81 MDM2 (0.48) MDM2
SCHEMBL9893724 0.79 MDM2 (1.00) MDM2ADORA2AADORA1
SCHEMBL9894128 0.78 MDM2 (0.85) MDM2ADORA2AADORA1
SCHEMBL1444094 0.78 MDM2 (0.59) MDM2CNR1
SCHEMBL1437227 0.77 MDM2 (0.67) MDM2ADORA2AADORA1
SCHEMBL9894055 0.77 MDM2 (0.72) MDM2ADORA2AADORA1
SCHEMBL9893721 0.76 MDM2 (0.80) MDM2CNR1ADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574785-A Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators NOVARTIS AG 2012-07-11 CN disclosed
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 2/4885CNR1 2104/4885ADORA2A 3296/4885

“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.