SCHEMBL14504367

SCHEMBL14504367

COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCBr)cc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.60
PTGS2 P35354 11/20 0.55
PTGS1 P23219 7/20 0.55
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL14504423 0.90 PTGS2 (0.55) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL14504507 0.90 PTGS2 (0.55) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL14504411 0.88 PTGS2 (0.53) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL14504975 0.88 PTGS2 (0.53) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL14504511 0.88 PDPK1 (0.54) PDPK1PTGS2PTGS1CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL5149002 0.86 PTGS2 (0.56) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL14504937 0.86 PTGS2 (0.51) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL14504983 0.86 PDPK1 (0.52) PDPK1PTGS2PTGS1CYP2C9
SCHEMBL14504912 0.85 PDPK1 (0.52) PDPK1PTGS2PTGS1
SCHEMBL14504381 0.85 PTGS2 (0.77) PDPK1PTGS2PTGS1CYP2C9CYP1A2

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-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 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 (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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 PDPK1 2205/4885PTGS2 1780/4885PTGS1 1105/4885

“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.