SCHEMBL1828299

SCHEMBL1828299

NC(=O)c1cc(-c2ccc3cc[nH]c3c2)[nH]c1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4K2A Q9BTU6 2/20 0.50
LCK P06239 1/20 0.46
BTK Q06187 1/20 0.46
RIPK2 O43353 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDC7 O00311 6/20 0.40
IKBKB O14920 3/20 0.40
CHUK O15111 3/20 0.40
TYR P14679 1/20 0.39
MPO P05164 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
BRD4 O60885 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL1828609 0.83 PI4K2A (0.45) PI4K2ALCKBTKRIPK2KDM4E
SCHEMBL220282 0.78 CDC7 (0.54) RIPK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27682000 0.74 LCK (0.56) PI4K2ALCKBTKRIPK2KDM4E
SCHEMBL30369932 0.74 LCK (0.56) PI4K2ALCKBTKRIPK2KDM4E
SCHEMBL28136345 0.74 LCK (0.56) PI4K2ALCKBTKRIPK2KDM4E
SCHEMBL4351548 0.74 IDO1 (0.46) BTKCDC7BRD4
SCHEMBL4352604 0.74 ALOX15 (0.45) RIPK2KDM4ECDC7BRD4
SCHEMBL2196043 0.73 CDC7 (0.61) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL13630526 0.73 BRD4 (0.47) CDC7BRD4
SCHEMBL4346525 0.73 CDC7 (0.61) BTKCDC7BRD4

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 3 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-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

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 PI4K2A 4351/4885LCK 3631/4885BTK 2651/4885

“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.