SCHEMBL2199584

SCHEMBL2199584

NC(=O)Nc1[nH]c(-c2ccc(N)cc2Nc2ccccc2)cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.56
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
SIRT2 Q8IXJ6 9/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
APOBEC3A P31941 1/20 0.40
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT1 Q96EB6 3/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
CDC7 O00311 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
SCHEMBL4351563 0.87 BRD4 (0.60) BRD4GAAMAPTGFERSIRT2
SCHEMBL4351557 0.75 BRD4 (0.46) BRD4GAAMAPTSIRT2ALDH1A1
SCHEMBL2199582 0.75 BRD4 (0.40) BRD4GAAMAPTGFERCDC7
SCHEMBL2200146 0.74 BRD4 (0.62) BRD4CDC7JAK2JAK3
SCHEMBL2195873 0.73 BRD4 (0.47) BRD4MAPTALDH1A1KDM4ECDC7
SCHEMBL2201619 0.73 BRD4 (0.45) BRD4TDP1CDC7JAK2
SCHEMBL2199580 0.72 BRD4 (0.41) BRD4TDP1CDC7JAK2JAK3
SCHEMBL13630645 0.72 BRD4 (0.52) BRD4GFERALDH1A1KDM4ECDC7
SCHEMBL2196845 0.72 CDC7 (0.51) BRD4CDC7JAK2
SCHEMBL2196975 0.72 IKBKB (0.47) BRD4ALDH1A1KDM4EJAK2

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 4 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 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
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 BRD4 497/4885GAA 3941/4885MAPT 3737/4885

“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.