SCHEMBL220282

SCHEMBL220282

NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.54
BRD4 O60885 2/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGER3 P43115 2/20 0.45
CHEK2 O96017 1/20 0.45
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
ACMSD Q8TDX5 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
IKBKB O14920 3/20 0.41
CHUK O15111 1/20 0.41
CCNT1 O60563 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
SCHEMBL12423845 0.83 BRD4 (0.64) CDC7BRD4CCNA2CDK2CCNA1
SCHEMBL4351487 0.82 BRD4 (0.68) CDC7BRD4CCNA2CDK2CCNA1
SCHEMBL219746 0.81 CDC7 (0.48) CDC7BRD4ALDH1A1CYP1A2HPGD
SCHEMBL7500168 0.80 JAK2 (0.53) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL6028084 0.79 DHODH (0.59) CDC7BRD4ALDH1A1CYP1A2HPGD
SCHEMBL1828188 0.78 CDC7 (0.57) CDC7BRD4ALDH1A1JAK2
SCHEMBL1828299 0.78 PI4K2A (0.50) CDC7BRD4ALDH1A1HPGDHSD17B10
SCHEMBL13630063 0.78 PARP1 (0.51) CDC7BRD4ALDH1A1HPGDHSD17B10
SCHEMBL5077425 0.77 ALDH1A1 (0.51) CDC7BRD4ALDH1A1CYP1A2HPGD
SCHEMBL1826481 0.77 DYRK1A (0.46) CDC7BRD4CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
CN-102131774-A Novel pyrrole derivative having, as substituents, ureide group, aminocarbonyl group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO LTD 2011-07-20 CN disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 EP disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 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-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA CDC7 4137/4885BRD4 421/4885ALDH1A1 776/4885

“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.