SCHEMBL5865601

SCHEMBL5865601

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.44
PTGS1 P23219 8/20 0.44
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 3/20 0.39
PDPK1 O15530 2/20 0.38
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
CA12 O43570 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5201440 0.89 PTGS2 (0.49) PTGS2PTGS1TSHRCYP2C9PDPK1
SCHEMBL5865600 0.89 PTGS2 (0.43) PTGS2PTGS1LMNAALOX5MAPK14
SCHEMBL5865561 0.89 PTGS1 (0.42) PTGS2PTGS1SMN1; SMN2L3MBTL1
SCHEMBL5865655 0.88 PTGS2 (0.42) PTGS2PTGS1PDPK1MAPK14GABRP
SCHEMBL5278633 0.88 MAPK13 (0.46) PTGS2PTGS1ALOX5MAPK14
SCHEMBL6885231 0.87 PTGS2 (0.58) PTGS2PTGS1TSHRCYP2C9CYP3A4
SCHEMBL5204715 0.87 PTGS2 (0.58) PTGS2PTGS1TSHRCYP2C9CYP3A4
SCHEMBL5865582 0.86 PDPK1 (0.41) PTGS2PTGS1PDPK1GABRPGABRD
SCHEMBL5207906 0.84 PTGS2 (0.49) PTGS2PTGS1LMNANPC1MAPK1
SCHEMBL4674384 0.83 PTGS2 (0.42) PTGS2PTGS1RAB9ACYP2C9PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US disclosed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 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-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 PTGS2 1769/4885PTGS1 523/4885RECQL 2740/4885

“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.