SCHEMBL19729299

SCHEMBL19729299

CCOC(=O)c1cn(-c2cc(N)c(F)cc2COC(C)=O)c2c(Cl)c(N)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.43
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP2C19 P33261 1/20 0.36
ROCK2 O75116 1/20 0.35
CDK1 P06493 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3A P49840 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKCD Q05655 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
ADRB2 P07550 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
SCHEMBL19728353 0.93 STAT3 (0.47) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL19729303 0.92 STAT3 (0.35) STAT3KMT2APIM1CYP3A4CYP2C9
SCHEMBL19728749 0.90 STAT3 (0.41) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL20912578 0.90 STAT3 (0.49) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL19728798 0.89 STAT3 (0.55) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL19728358 0.89 STAT3 (0.41) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL19728362 0.88 KMT2A (0.42) STAT3KMT2AKDM4EHPGDALDH1A1
SCHEMBL20912644 0.87 ADRB2 (0.42) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL19728755 0.87 STAT3 (0.39) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL19729304 0.87 STAT3 (0.40) STAT3KMT2AHTTKDM4EHPGD

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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
US-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
EP-3473616-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2019-04-24 EP disclosed
WO-2017217441-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF 湧永製薬株式会社 2017-12-21 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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF CTR9, PYCR1, ACAD9 STAT3 1884/4885KMT2A 2161/4885HTT 3931/4885

“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.