SCHEMBL9893843

SCHEMBL9893843

Cc1cccc(-c2nc(C#N)c(-c3cc(Cl)ccc3O)n2-c2cc(Cl)ccc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
THRB P10828 2/20 0.44
MDM2 Q00987 4/20 0.44
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 6/20 0.35
HPGD P15428 5/20 0.35
MEN1 O00255 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
MAPK1 P28482 3/20 0.34
CTSB P07858 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL27879142 0.90 CNR1 (0.36) MAPTTHRBMDM2ALDH1A1KMT2A
SCHEMBL9894475 0.86 MDM2 (0.41) MAPTTHRBMDM2ALDH1A1TSHR
SCHEMBL27879143 0.85 HPGD (0.36) MAPTTHRBMDM2ALDH1A1TSHR
SCHEMBL9893712 0.82 MDM2 (0.55) MAPTTHRBMDM2KMT2AHPGD
SCHEMBL9893819 0.77 MDM2 (0.50) MAPTTHRBMDM2ALDH1A1TSHR
SCHEMBL9894425 0.77 MDM2 (0.43) MAPTTHRBMDM2ALDH1A1TSHR
SCHEMBL9893871 0.73 MDM2 (0.77) MAPTTHRBMDM2ALDH1A1KMT2A
SCHEMBL1437064 0.71 MDM2 (0.82) THRBMDM2ALDH1A1LMNAHTT
SCHEMBL9893755 0.70 MDM2 (0.61) MAPTTHRBMDM2ALDH1A1TSHR
SCHEMBL9894216 0.70 MDM2 (0.50) MDM2HPGD

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 MAPT 582/4885THRB 1852/4885MDM2 2/4885

“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.