SCHEMBL1725831

SCHEMBL1725831

COC(=O)c1ccc2c(c1)nc(Nc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.61
RORC P51449 3/20 0.40
KCNH2 Q12809 1/20 0.39
IDH1 O75874 6/20 0.38
KIF11 P52732 2/20 0.37
ROCK2 O75116 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1727054 0.92 PTGES (0.60) PTGESRORCIDH1EHMT2
SCHEMBL3098057 0.88 PTGES (0.70) PTGESRORCKCNH2
SCHEMBL11895277 0.86 PTGES (0.57) PTGESRORC
SCHEMBL3101014 0.86 PTGES (0.57) PTGESRORC
SCHEMBL3103828 0.85 PTGES (0.56) PTGESIDH1
SCHEMBL3093257 0.85 PTGES (0.67) PTGESRORCKCNH2
SCHEMBL11895207 0.85 PTGES (0.59) PTGES
SCHEMBL11895452 0.84 PTGES (0.63) PTGESRORC
SCHEMBL3099140 0.83 PTGES (0.68) PTGESRORCIDH1
SCHEMBL3094839 0.83 PTGES (0.44) PTGESKCNH2ROCK2EHMT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 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 (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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885RORC 705/4885KCNH2 415/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885RORC 705/4885KCNH2 415/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885RORC 705/4885KCNH2 415/4885

“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.