SCHEMBL4513017

SCHEMBL4513017

NC(=O)c1c(F)ccc([CH]C(F)(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ PARP1 P09874 2/20 0.31
▸ PBRM1 Q86U86 1/20 0.30

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
SCHEMBL29782972 0.75 CES2 (0.46) CES2CES1PARP1
SCHEMBL7146004 0.75 CES2 (0.46) CES2CES1PARP1
SCHEMBL12481336 0.73 LMNA (0.36) PBRM1
SCHEMBL16649590 0.71 NOTUM (0.33) PBRM1
SCHEMBL29467978 0.71 CES2 (0.40) CES2CES1PARP1PBRM1
SCHEMBL201485 0.70 HSD17B1 (0.44) CES2CES1
SCHEMBL6818860 0.70 PBRM1 (0.41) CES2CES1PARP1PBRM1
SCHEMBL17275022 0.70 CES2 (0.38) CES2CES1PARP1
SCHEMBL30739599 0.70 CES2 (0.38) CES2CES1PARP1
SCHEMBL378789 0.69 KEAP1 (0.41) CES2CES1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563895-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-21 — — US disclosed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 — — EP disclosed
US-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 — — US disclosed
US-20080076918-A1 QUINOXALINE COMPOUNDS ALLISON BRETT D 2008-03-27 — — US disclosed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 — — US disclosed
US-7288651-B2 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 — — US disclosed
EP-1651622-B1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 — — EP disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — US disclosed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 — — US 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 (4 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-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR ERN1 4282/4885CES2 1264/4885CES1 2028/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR ERN1 4282/4885CES2 1264/4885CES1 2028/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR ERN1 3053/4885CES2 1335/4885CES1 946/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR ERN1 3053/4885CES2 1335/4885CES1 946/4885

“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.

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