SCHEMBL9893624

SCHEMBL9893624

Cc1ccc(Cl)cc1-n1c(C2CCCCC2)nc(C#N)c1-c1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.52
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GRM5 P41594 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
GPR6 P46095 1/20 0.34
RPS6KB1 P23443 2/20 0.34
AKT1 P31749 2/20 0.34

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
SCHEMBL9893828 0.85 MDM2 (0.69) MDM2GRM5OPRM1OPRL1TGFBR1
SCHEMBL9894071 0.81 MDM2 (0.73) MDM2
SCHEMBL9893830 0.81 MDM2 (0.75) MDM2
Lithium SCHEMBL9894073 0.81 MDM2 (0.73) MDM2
SCHEMBL1437333 0.81 MDM2 (0.47) MDM2ALDH1A1TSHR
Lithium Ion SCHEMBL9894072 0.81 MDM2 (0.61) MDM2
Acetamide SCHEMBL27862813 0.79 MDM2 (0.69) MDM2
SCHEMBL1437286 0.79 MDM2 (0.76) MDM2
SCHEMBL1437160 0.79 MDM2 (0.59) MDM2
SCHEMBL9893646 0.78 MDM2 (0.58) MDM2

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 2/4885USP2 796/4885ALDH1A1 4361/4885

“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.