SCHEMBL4348997

SCHEMBL4348997

NC(=O)c1cc(-c2cnccn2)[nH]c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.42
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
JAK2 O60674 6/20 0.40
CDK2 P24941 3/20 0.40
CDK1 P06493 2/20 0.40
GSK3B P49841 2/20 0.40
CDK9 P50750 2/20 0.40
TAOK1 Q7L7X3 2/20 0.40
CCNA2 P20248 2/20 0.40
CCNA1 P78396 2/20 0.40
IKBKB O14920 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
PRKCB P05771 1/20 0.40
CCNB1 P14635 1/20 0.40

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
SCHEMBL2201302 0.81 ADORA3 (0.39) CDC7ADORA3TSHRMC4RADRA1A
SCHEMBL4342616 0.79 CDC7 (0.61) CDC7JAK2CDK2CDK1GSK3B
SCHEMBL4347131 0.75 MKNK1 (0.54) CDC7CDK2CCNA2CCNA1PKN2
SCHEMBL3646683 0.68 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL10989373 0.68 PIM2 (0.41) CDC7ADORA3TSHRMC4RADRA1A
SCHEMBL45147 0.67 BCAT2 (0.53) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL31227852 0.67 BCAT2 (0.53) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL30521876 0.67 BCAT2 (0.53) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL4351487 0.66 BRD4 (0.68) CDC7JAK2CDK2CDK1GSK3B
SCHEMBL3346928 0.66 SIRT3 (0.53) ADORA3TSHRMC4RADRA1AMC3R

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 CDC7 4329/4885ADORA3 2633/4885TSHR 3101/4885

“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.