SCHEMBL6132400

SCHEMBL6132400

COc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.57
PTGS1 P23219 9/20 0.57
MAPKAPK2 P49137 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDPK1 O15530 1/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 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
SCHEMBL6132165 1.00 PTGS2 (0.57) PTGS2PTGS1MAPKAPK2L3MBTL1CYP1A2
SCHEMBL6132473 0.90 PTGS2 (0.67) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6132484 0.86 PTGS2 (0.63) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6132192 0.86 PTGS2 (0.63) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6681240 0.84 PTGS2 (0.60) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL5865649 0.83 PTGS2 (0.60) PTGS2PTGS1L3MBTL1
SCHEMBL5865582 0.83 PDPK1 (0.41) PTGS2PTGS1NPSR1PDPK1PGR
SCHEMBL6132399 0.81 PTGS2 (0.58) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6885231 0.81 PTGS2 (0.58) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL5204715 0.81 PTGS2 (0.58) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP claimed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US claimed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO claimed
CN-103153306-A Solid dispersion comprising triazole compound ASTELLAS PHARMA INC 2013-06-12 CN disclosed
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND ASTELLAS PHARMA, INC. 2013-05-30 US disclosed
EP-2581084-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND Astellas Pharma Inc. (JP) 2013-04-17 EP disclosed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (2 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS2 2680/4885PTGS1 1504/4885MAPKAPK2 3992/4885
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND CYP3A4, CYP3A43, CYP3A7 PTGS2 3116/4885PTGS1 2201/4885MAPKAPK2 3688/4885

“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.