SCHEMBL219916

SCHEMBL219916

NC(=O)Nc1[nH]c(-c2ccc3occc3c2)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
DYRK1A Q13627 7/20 0.42
CNR1 P21554 1/20 0.40
CDK9 P50750 1/20 0.40
PLAU P00749 1/20 0.39
KMO O15229 1/20 0.39
BRD4 O60885 1/20 0.38
CA2 P00918 2/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDC7 O00311 1/20 0.37
FOXO1 Q12778 1/20 0.36
CA12 O43570 1/20 0.36
BTK Q06187 1/20 0.36
HTR1B P28222 1/20 0.35

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
SCHEMBL1826481 0.83 DYRK1A (0.46) ARDYRK1ACNR1CDK9PLAU
SCHEMBL219746 0.79 CDC7 (0.48) BRD4CDC7
SCHEMBL12423887 0.77 BRD4 (0.59) BRD4CDC7
SCHEMBL2200146 0.77 BRD4 (0.62) CDK9BRD4CDC7
SCHEMBL220935 0.76 CDC7 (0.51) DYRK1ABRD4CA2CDC7CA12
SCHEMBL2201619 0.76 BRD4 (0.45) BRD4CDC7
SCHEMBL12424010 0.75 PTGER2 (0.42) BRD4CDC7
SCHEMBL2200000 0.75 IKBKB (0.51) BRD4CDC7
SCHEMBL2200813 0.75 ABL1 (0.40) BRD4CDC7
SCHEMBL2203027 0.75 IDO1 (0.43) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US claimed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US claimed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 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-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA AR 2351/4885DYRK1A 4841/4885CNR1 258/4885

“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.