SCHEMBL4355880

SCHEMBL4355880

NC(=O)Nc1[nH]c(-c2ccc(C#CCO)cc2)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CDC7 O00311 15/20 0.38
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
PRKCG P05129 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
LYN P07948 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL2200291 0.87 CDC7 (0.42) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2200754 0.85 BRD4 (0.49) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2198243 0.82 CDC7 (0.47) BRD4CDC7CHEK1CSF1R
SCHEMBL2199470 0.80 IKBKB (0.45) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2201619 0.78 BRD4 (0.45) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2197274 0.77 CDC7 (0.57) BRD4CDC7CHEK1PDGFRBKIT
SCHEMBL2198026 0.77 CDC7 (0.57) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2198095 0.77 CDC7 (0.57) BRD4CDC7PLK4CHEK1DAPK3
SCHEMBL2198480 0.77 NPC1 (0.46) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL12509725 0.77 BRD4 (0.44) BRD4CDC7CCNA2CDK2CCNA1

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 497/4885CDC7 4329/4885MMP2 339/4885

“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.