SCHEMBL2697716

SCHEMBL2697716

Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.71
PTGS1 P23219 6/20 0.71
PDPK1 O15530 6/20 0.57
CYP2C9 P11712 1/20 0.55

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
SCHEMBL2698251 0.88 PTGS1 (0.76) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL12213580 0.88 PDPK1 (0.73) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14958860 0.86 PDPK1 (0.73) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL18448102 0.86 PTGS2 (0.72) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14747609 0.85 PTGS2 (0.74) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL5420747 0.85 PTGS2 (0.74) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL8292452 0.85 PTGS2 (0.86) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL30183125 0.85 PTGS2 (0.70) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL3277875 0.85 PTGS1 (0.80) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL15346888 0.84 PTGS2 (0.67) PTGS2PTGS1PDPK1

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 14 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 claimed
EP-2246332-B1 Pyrazole derivatives as anti-francisella agents UNIV OHIO STATE RES FOUND (US) 2013-09-18 EP claimed
US-20130005788-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-03 US claimed
US-20120108823-A1 ANTI-FRANCISELLA AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-03 US claimed
EP-2246332-A1 Pyrazole derivatives as anti-francisella agents The Ohio State University Research Foundation (US) 2010-11-03 EP claimed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
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 (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-20130005788-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 PTGS2 2/4885PTGS1 1/4885PDPK1 2901/4885
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 PTGS2 340/4885PTGS1 192/4885PDPK1 110/4885
US-20120108823-A1 ANTI-FRANCISELLA AGENTS PTGS1, PTGS2, PTGES2 PTGS2 2/4885PTGS1 1/4885PDPK1 2901/4885

“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.