SCHEMBL2199592

SCHEMBL2199592

COC(=O)COc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.46
CHUK O15111 2/20 0.42
INSR P06213 2/20 0.42
MAPK8 P45983 2/20 0.42
CAMKK2 Q96RR4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.41
CDC7 O00311 1/20 0.41
AR P10275 1/20 0.41
MAPK1 P28482 1/20 0.40
KCNN4 O15554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL13630537 0.89 BRD4 (0.45) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2197555 0.87 BRD4 (0.49) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2200493 0.86 BRD4 (0.46) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2196927 0.86 CDC7 (0.54) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2198470 0.85 BRD4 (0.47) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL12509787 0.84 KMT2A (0.50) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2199883 0.84 CHEK1 (0.45) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2199427 0.83 MAPT (0.55) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2195870 0.83 KDM4E (0.50) BRD4CHUKINSRMAPK8CAMKK2
SCHEMBL2197053 0.83 BRD4 (0.47) BRD4HTTMCL1IKBKB

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-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

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 497/4885CHUK 26/4885INSR 1053/4885

“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.