SCHEMBL14744678

SCHEMBL14744678

CCOC(=O)c1c(-c2cc(F)ccc2Cl)nc2ncccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 5/20 0.60
HSD17B10 Q99714 1/20 0.60
GPBAR1 Q8TDU6 1/20 0.46
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
LMNA P02545 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL14739289 0.90 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GPBAR1
SCHEMBL14740811 0.84 GPBAR1 (0.48) KDM4EALDH1A1HPGDHSD17B10GPBAR1
SCHEMBL16678460 0.83 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10GPBAR1
SCHEMBL14740334 0.79 CDC7 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL16678509 0.77 ALDH1A1 (0.76) KDM4EALDH1A1HPGDHSD17B10GPBAR1
SCHEMBL9498177 0.76 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10GPBAR1
SCHEMBL16678545 0.76 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL16678646 0.75 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GPBAR1
SCHEMBL16678442 0.73 ALDH1A1 (0.78) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9499756 0.73 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 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-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 KDM4E 4392/4885ALDH1A1 2048/4885HPGD 1109/4885

“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.