SCHEMBL12295273

SCHEMBL12295273

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.59
CYP2C19 P33261 5/20 0.59
CYP3A4 P08684 3/20 0.59
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
CYP1A2 P05177 1/20 0.44
CNR2 P34972 1/20 0.41
TTK P33981 1/20 0.41
CLK1 P49759 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
SLC2A1 P11166 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
CNR1 P21554 1/20 0.39
PPARG P37231 1/20 0.38
ADAM17 P78536 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
SCHEMBL12295472 0.89 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4CYP1A2CLK1
SCHEMBL2428194 0.88 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4CYP1A2CLK1
SCHEMBL12294578 0.87 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4CYP1A2CLK1
SCHEMBL12294604 0.87 CYP2C9 (0.56) CYP2C9CYP2C19CYP3A4MYCWDR5
SCHEMBL12295661 0.86 CYP2C9 (0.64) CYP2C9CYP2C19CYP3A4CYP1A2CNR2
SCHEMBL2426016 0.86 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4CYP1A2CLK1
SCHEMBL12295264 0.85 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4WDR5CYP1A2
SCHEMBL12294581 0.85 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4CYP1A2CNR2
SCHEMBL12294670 0.84 CYP2C9 (0.74) CYP2C9CYP2C19CYP3A4CYP1A2CLK1
SCHEMBL12295672 0.83 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4CYP1A2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (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-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885

“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.