SCHEMBL3551738

SCHEMBL3551738

COC(=O)c1cnc(N[C@@H](C)c2ccccc2)nc1-c1cnc2c(Cl)cccn12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
IDH1 O75874 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
IGF1R P08069 8/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PPP1CA P62136 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIRT5 Q9NXA8 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
SCHEMBL3555089 0.90 MAPK14 (0.41) MAPK14IDH1HDAC3HDAC1HDAC2
SCHEMBL3558769 0.90 TP53 (0.41) MAPK14IDH1HDAC3HDAC1HDAC2
SCHEMBL3551698 0.84 HDAC3 (0.41) MAPK14IDH1HDAC3HDAC1HDAC2
SCHEMBL3551540 0.83 IDH1 (0.39) MAPK14IDH1HDAC3HDAC1HDAC2
SCHEMBL3552661 0.81 TP53 (0.43) MAPK14IDH1HDAC3HDAC1HDAC2
SCHEMBL3551627 0.80 PLK1 (0.46) MAPK14IDH1IGF1RALDH1A1
SCHEMBL3552338 0.80 TP53 (0.42) MAPK14HDAC3HDAC1HDAC2HDAC6
SCHEMBL3557012 0.78 CAMK2D (0.47) MAPK14
SCHEMBL3550798 0.77 PLK1 (0.45) MAPK14HDAC3HDAC1HDAC2HDAC6
SCHEMBL5069001 0.75 IDH1 (0.37) MAPK14IDH1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A MAPK14 680/4885IDH1 767/4885HDAC3 278/4885

“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.