SCHEMBL2695421

SCHEMBL2695421

Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cc(Cl)c(Cl)cc3Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.76
PTGS2 P35354 14/20 0.64
PTGS1 P23219 11/20 0.64
CYP2C9 P11712 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL980633 0.86 PDPK1 (1.00) PDPK1PTGS2PTGS1CYP2C9CYP3A4
SCHEMBL8292452 0.86 PTGS2 (0.86) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL5674301 0.85 PDPK1 (0.72) PDPK1PTGS2PTGS1CYP2C9
SCHEMBL2694814 0.84 PTGS2 (0.61) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL2697564 0.84 PTGS2 (0.65) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL2698009 0.84 PDPK1 (0.73) PDPK1PTGS2PTGS1CYP2C9CYP1A2
SCHEMBL18448102 0.82 PTGS2 (0.72) PDPK1PTGS2PTGS1CYP2C9CYP3A4
SCHEMBL14747609 0.81 PTGS2 (0.74) PDPK1PTGS2PTGS1CYP2C9CYP3A4
SCHEMBL12213580 0.81 PDPK1 (0.73) PDPK1PTGS2PTGS1CYP2C9
SCHEMBL2698251 0.81 PTGS1 (0.76) PDPK1PTGS2PTGS1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580827-B2 Anti-Francisella agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-11-12 US disclosed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP disclosed
US-20130005788-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20120108823-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-03 US disclosed
EP-2246332-A1 Pyrazole derivatives as anti-francisella agents The Ohio State University Research Foundation (US) 2010-11-03 EP 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-20130005788-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 PDPK1 2901/4885PTGS2 2/4885PTGS1 1/4885
US-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 PDPK1 2901/4885PTGS2 2/4885PTGS1 1/4885

“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.