SCHEMBL458735

SCHEMBL458735

CCOC(=O)c1cc2cccc(C(F)(F)F)c2nc1-c1cccnc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.43
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16712521 0.86 DHODH (0.46) SCN5ASCN9A
SCHEMBL458798 0.83 TSHR (0.41) TGFBR1MAPTTP53MAPK1HSD17B10
SCHEMBL455451 0.76 SCN5A (0.41) SCN5ASCN9ANR1H2
SCHEMBL15363883 0.73 SCN5A (0.42) HSD17B10SCN5ASCN9AALDH1A1L3MBTL1
SCHEMBL4674532 0.73 TRPV1 (0.61) TGFBR1MAPTUSP2TP53MAPK1
SCHEMBL11908675 0.72 CCR1 (0.53) TP53MAPK1HSD17B10KDM4EALDH1A1
SCHEMBL15363610 0.72 SCN5A (0.38) SCN5ASCN9ATSHRCYP1A2CYP2C9
SCHEMBL28234393 0.72 MAPT (0.51) MAPTUSP2TP53MAPK1RECQL
SCHEMBL17596186 0.71 ALDH1A1 (0.46) MAPTTP53MAPK1HSD17B10KDM4E
SCHEMBL3803556 0.71 KDM4E (0.53) MAPTKDM4EALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 TGFBR1 4717/4885MAPT 2764/4885USP2 1851/4885

“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.