SCHEMBL4740984

SCHEMBL4740984

Fc1cc(F)c2nccc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 1/20 0.53
CD38 P28907 1/20 0.50
GRM4 Q14833 5/20 0.48
TDO2 P48775 4/20 0.45
EGFR P00533 4/20 0.44
CDK8 P49336 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
IDO1 P14902 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4740884 0.85 FADS1 (0.58) PTK6GRM4CDK8GSK3AGSK3B
SCHEMBL6071379 0.81 PTK6 (0.59) PTK6CD38GRM4TDO2EGFR
SCHEMBL4740968 0.81 CD38 (0.65) PTK6CD38TDO2EGFRCDK8
SCHEMBL6071256 0.78 PTK6 (0.56) PTK6CD38GRM4TDO2EGFR
SCHEMBL6071699 0.77 FADS1 (0.68) PTK6CD38EGFRCYP1A2CYP2C8
4-Chloro-6,8-Difluoroquinoline SCHEMBL30225421 0.74 CDK8 (0.43) CDK8GSK3AGSK3BCDK9CDK5
4-Chloro-6,8-Difluoroquinoline SCHEMBL264453 0.74 CDK8 (0.43) CDK8GSK3AGSK3BCDK9CDK5
SCHEMBL23117519 0.74 CD38 (0.62) PTK6CD38EGFRIDO1
SCHEMBL4961504 0.73 CD38 (0.61) PTK6CD38EGFRCDK8
SCHEMBL4787800 0.73 CD38 (0.64) PTK6CD38EGFRCDK8GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (3 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 PTK6 1516/4885CD38 1036/4885GRM4 1381/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL PTK6 2570/4885CD38 252/4885GRM4 4347/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG PTK6 2600/4885CD38 2004/4885GRM4 1878/4885

“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.