SCHEMBL9894055

SCHEMBL9894055

O=P(O)(O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2F)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.72
NOTUM Q6P988 1/20 0.39
RIPK1 Q13546 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CTSA P10619 1/20 0.36
GRM5 P41594 1/20 0.36
TSPO P30536 1/20 0.35

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
SCHEMBL9893869 0.87 MDM2 (0.63) MDM2NOTUMRIPK1HTR2AHTR2C
SCHEMBL9894025 0.85 MDM2 (0.63) MDM2NOTUMRIPK1GRM5TSPO
SCHEMBL1437184 0.84 MDM2 (0.73) MDM2NOTUMADORA2AADORA1GRM5
SCHEMBL9894026 0.84 MDM2 (0.59) MDM2NOTUMRIPK1HTR2AHTR2C
SCHEMBL9893724 0.84 MDM2 (1.00) MDM2NOTUMRIPK1HTR2AHTR2C
SCHEMBL9894128 0.83 MDM2 (0.85) MDM2NOTUMRIPK1HTR2AHTR2C
SCHEMBL9893721 0.82 MDM2 (0.80) MDM2NOTUMRIPK1HTR2AHTR2C
SCHEMBL9894084 0.81 MDM2 (0.72) MDM2NOTUMRIPK1ADORA2AADORA1
SCHEMBL1440035 0.80 MDM2 (0.72) MDM2NOTUM
SCHEMBL1437176 0.79 MDM2 (0.90) MDM2NOTUMRIPK1HTR2AHTR2C

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 2/4885NOTUM 4675/4885RIPK1 2376/4885

“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.