SCHEMBL12424010

SCHEMBL12424010

NC(=O)Nc1[nH]c(-c2ccoc2)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.42
BRD4 O60885 1/20 0.39
CDC7 O00311 11/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC2 Q92769 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
IKBKB O14920 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL2199518 0.93 PTGER2 (0.40) PTGER2BRD4CDC7HDAC6ADORA3
SCHEMBL4347703 0.90 CNR1 (0.42) PTGER2BRD4CDC7CCNA2CDK2
SCHEMBL2200146 0.79 BRD4 (0.62) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2201619 0.78 BRD4 (0.45) BRD4CDC7HDAC6CCNA2CDK2
SCHEMBL2198026 0.77 CDC7 (0.57) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2198095 0.77 CDC7 (0.57) BRD4CDC7
SCHEMBL12423887 0.77 BRD4 (0.59) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2197274 0.77 CDC7 (0.57) BRD4CDC7HDAC6IKBKBJAK2
SCHEMBL2198480 0.77 NPC1 (0.46) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL12509725 0.77 BRD4 (0.44) BRD4CDC7HDAC6CCNA2CDK2

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
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

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 PTGER2 535/4885BRD4 497/4885CDC7 4329/4885

“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.