SCHEMBL19868943

SCHEMBL19868943

COc1ccc(-c2nc(C)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.67
MAPK13 O15264 4/20 0.67
MAPK12 P53778 4/20 0.67
MAPK11 Q15759 4/20 0.67
RAF1 P04049 2/20 0.67
GCGR P47871 4/20 0.65
ALOX5 P09917 2/20 0.65
TGFBR1 P36897 1/20 0.57
NOX1 Q9Y5S8 1/20 0.54
TEK Q02763 3/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AURKA O14965 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
CCNB2 O95067 1/20 0.48

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
SCHEMBL20445285 0.86 MAPT (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15075611 0.85 MAPK13 (0.89) MAPK14MAPK13MAPK12MAPK11RAF1
Hydrochloric Acid SCHEMBL23736191 0.85 MAPT (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7366314 0.83 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL9196324 0.81 MAPK11 (0.69) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL19868944 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
Sb-202474 SCHEMBL14492046 0.81 TGFBR1 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6469341 0.80 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7995495 0.79 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6164173 0.79 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11RAF1

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-20180044316-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-02-15 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-20180044316-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS CREB1, PPP6R1, PPP1R10 MAPK14 440/4885MAPK13 782/4885MAPK12 363/4885

“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.