SCHEMBL682876

SCHEMBL682876

Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.61
HDAC1 Q13547 3/20 0.57
KIF11 P52732 1/20 0.52
HDAC2 Q92769 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
HDAC3 O15379 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL29996129 0.84 HDAC1 (0.63) HDAC1HDAC2GAAMAPTHDAC3
SCHEMBL26416452 0.84 HDAC1 (0.63) HDAC1HDAC2GAAMAPTHDAC3
SCHEMBL1424488 0.83 HDAC1 (0.77) HDAC1HDAC2GAAMAPTHDAC3
SCHEMBL20198551 0.81 PTGS1 (0.60) PTGS1GAAMAPTMAPK1KMT2A
SCHEMBL29416601 0.80 KIF11 (0.77) PTGS1KIF11MEN1KMT2A
SCHEMBL14959294 0.80 KIF11 (0.77) PTGS1KIF11MEN1KMT2A
SCHEMBL21750915 0.79 CA12 (0.56) KIF11GAAMAPTSMN1; SMN2MEN1
SCHEMBL28477629 0.79 PTGS1 (0.64) PTGS1HDAC1KIF11HDAC2GAA
SCHEMBL28440005 0.79 HDAC1 (0.56) HDAC1HDAC2GAAMAPTHDAC3
SCHEMBL14972697 0.79 CYP1A2 (0.64) PTGS1HDAC1GAAMAPTMAPK1

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
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB PTGS1 2887/4885HDAC1 788/4885KIF11 1085/4885

“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.