SCHEMBL2200693

SCHEMBL2200693

NC(=O)Nc1[nH]c(-c2ccccc2C(F)(F)F)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
SCN9A Q15858 2/20 0.46
BRD4 O60885 3/20 0.43
PIK3C3 Q8NEB9 2/20 0.43
FFAR1 O14842 1/20 0.42
NR3C2 P08235 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
KIT P10721 1/20 0.39
PTPRC P08575 1/20 0.38
JAK2 O60674 2/20 0.38
PTGS1 P23219 1/20 0.38
CDC7 O00311 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL2196845 0.82 CDC7 (0.51) PARP1BRD4FFAR1JAK2CDC7
SCHEMBL4349024 0.82 PARP1 (0.50) PARP1SCN9ABRD4FFAR1JAK2
SCHEMBL2200978 0.81 BRD4 (0.46) SCN9ABRD4FFAR1CAMKK2KIT
SCHEMBL2195873 0.81 BRD4 (0.47) BRD4JAK2CDC7
SCHEMBL2196975 0.80 IKBKB (0.47) PARP1BRD4FFAR1JAK2
SCHEMBL2198463 0.80 BRD4 (0.52) BRD4FFAR1JAK2CDC7
SCHEMBL30740977 0.79 CDC7 (0.59) PARP1SCN9ABRD4FFAR1JAK2
SCHEMBL4347544 0.77 BRD4 (0.47) PARP1BRD4FFAR1NR3C2JAK2
SCHEMBL2199465 0.76 BRD4 (0.43) BRD4JAK2CDC7
SCHEMBL2198478 0.76 BRD4 (0.46) BRD4CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP claimed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US claimed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US claimed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP claimed
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 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 (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-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS UACA, IL6, IL6ST PARP1 3322/4885SCN9A 3957/4885BRD4 497/4885

“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.