SCHEMBL23649

SCHEMBL23649

CC(C)=Cc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.46
DYRK1A Q13627 1/20 0.38
PARP1 P09874 1/20 0.36
SORT1 Q99523 2/20 0.36
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EIF4A1 P60842 1/20 0.36
PTGFR P43088 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20352 0.85 DHODH (0.46) DHODHDYRK1APARP1SORT1EIF4A1
SCHEMBL20353 0.85 DHODH (0.46) DHODHDYRK1APARP1SORT1EIF4A1
SCHEMBL20666 0.85 THRB (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL20784 0.81 DHODH (0.51) DHODHDYRK1ASORT1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22807 0.79 DHODH (0.49) DHODHSORT1KDM4EALDH1A1CYP2C19
SCHEMBL20614 0.78 DHODH (0.48) DHODHSORT1KDM4EUSP2ALDH1A1
SCHEMBL19867 0.77 CCR1 (0.43) DHODHKDM4ECYP2C19MEN1KMT2A
SCHEMBL21613 0.76 DHODH (0.46) DHODHEIF4A1
SCHEMBL21973 0.76 DHODH (0.46) DHODHSORT1KDM4EEIF4A1PTGFR
SCHEMBL1721616 0.75 DHODH (0.46) DHODHSORT1KDM4EALDH1A1EIF4A1

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
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 3082/4885DYRK1A 2500/4885PARP1 1388/4885

“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.