SCHEMBL12295455

SCHEMBL12295455

CCc1nc2c(C(F)(F)F)cccn2c1C(=O)NCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.51
CYP2C19 P33261 5/20 0.50
CYP3A4 P08684 3/20 0.50
PIK3CA P42336 2/20 0.47
USP1 O94782 2/20 0.43
WDR48 Q8TAF3 2/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.39

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
SCHEMBL17876504 0.92 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4ACE2
SCHEMBL17876670 0.91 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4ACE2
SCHEMBL17876698 0.91 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4PIK3CAACE2
SCHEMBL17876522 0.91 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4ACE2
SCHEMBL17876689 0.90 CYP2C9 (0.60) CYP2C9CYP2C19CYP3A4ACE2
SCHEMBL17876533 0.89 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL2402077 0.88 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4PIK3CAHDAC1
SCHEMBL17876686 0.88 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4
SCHEMBL14761152 0.87 CYP2C9 (0.51) CYP2C9CYP2C19CYP3A4PIK3CAHDAC1
SCHEMBL17876541 0.87 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US claimed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US claimed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
WO-2012143796-A2 ANTI-INFLAMMATION COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2012-10-26 WO disclosed
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 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-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 CYP2C9 1210/4885CYP2C19 2085/4885CYP3A4 366/4885

“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.