SCHEMBL2963413

SCHEMBL2963413

O=C(O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
CSNK2A2 P19784 3/20 0.58
CSNK2B P67870 3/20 0.58
CSNK2A1 P68400 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
DNA2 P51530 1/20 0.57
CASP6 P55212 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
CYP1A2 P05177 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX12 P18054 1/20 0.55
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TET2 Q6N021 1/20 0.48
TET1 Q8NFU7 1/20 0.48
CLEC4M Q9H2X3 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43

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
SCHEMBL2660023 0.81 CYP1A2 (0.57) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL18589537 0.81 CSNK2A2 (0.69) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL4742144 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDCYP1A2MEN1
SCHEMBL2976084 0.80 CSNK2A2 (0.63) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
Hydrochloric Acid SCHEMBL31157465 0.79 CSNK2A2 (0.61) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL1244916 0.78 CSNK2A2 (0.65) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL4339753 0.77 CSNK2A2 (0.63) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL2979929 0.77 CSNK2A2 (0.69) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL2977498 0.77 KDM4E (0.67) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL1353154 0.77 CYP1A2 (0.51) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409653-A 8-(Trifluoromethyl)The synthetic method of quinoline-3-carboxylic acid 苏州康润医药有限公司 2018-08-17 CN disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 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 (4 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885CSNK2A2 4063/4885CSNK2B 3358/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885CSNK2A2 4063/4885CSNK2B 3358/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885CSNK2A2 4063/4885CSNK2B 3358/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885CSNK2A2 4063/4885CSNK2B 3358/4885

“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.