SCHEMBL9893812

SCHEMBL9893812

CCOC(=O)C1(O)CN(c2cc(Cl)ccc2C)C(C2CCCN(C(=O)OCc3ccccc3)C2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 6/20 0.40
CTNNB1 P35222 6/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPC3 Q13507 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE4B Q07343 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP30 Q70CQ3 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL1440277 0.75 GABRA2 (0.47) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL9894410 0.74 BCL9 (0.40) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL1437133 0.73 TMEM97 (0.40) SMN1; SMN2L3MBTL1
SCHEMBL9893635 0.73 TMEM97 (0.40) SMN1; SMN2L3MBTL1
SCHEMBL1443243 0.72 MDM2 (0.49) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL1437580 0.72 MAPT (0.43) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL4031116 0.69 BCL9 (0.57) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL1437489 0.69 MEN1 (0.40) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL1437246 0.69 MEN1 (0.40) MEN1KMT2APOLBMAPTTP53
SCHEMBL4468130 0.68 BCL9 (0.47) BCL9CTNNB1JAK2JAK1TYK2

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 BCL9 623/4885CTNNB1 1112/4885XIAP 36/4885

“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.