SCHEMBL4498413

SCHEMBL4498413

CCN(CCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1)Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
CDC7 O00311 3/20 0.41
AURKA O14965 1/20 0.39
MAOB P27338 1/20 0.38
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
CHUK O15111 2/20 0.36
INSR P06213 2/20 0.36
MAPK8 P45983 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
CHEK1 O14757 2/20 0.36
CDK2AP1 O14519 1/20 0.36
MAP4K4 O95819 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 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
SCHEMBL2196789 0.82 CDC7 (0.46) CDC7BRD4LMNACHUKINSR
SCHEMBL4345912 0.82 IKBKB (0.67) IKBKBBRD4KDM4EALDH1A1LMNA
SCHEMBL2199300 0.81 IKBKB (0.50) IKBKBBRD4KDM4EALDH1A1CHUK
SCHEMBL2198470 0.80 BRD4 (0.47) IKBKBCDC7BRD4ALDH1A1LMNA
SCHEMBL12509787 0.79 KMT2A (0.50) IKBKBCDC7BRD4KDM4EALDH1A1
SCHEMBL2198614 0.79 IKBKB (0.47) IKBKBBRD4KDM4EALDH1A1LMNA
SCHEMBL2199427 0.78 MAPT (0.55) IKBKBBRD4KDM4ELMNACHUK
SCHEMBL4346545 0.78 IKBKB (0.52) IKBKBBRD4KDM4EALDH1A1CHUK
SCHEMBL2199409 0.78 IKBKB (0.52) IKBKBBRD4KDM4EALDH1A1CHUK
SCHEMBL2197555 0.78 BRD4 (0.49) CDC7BRD4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP 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 IKBKB 74/4885CDC7 4329/4885AURKA 4572/4885

“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.