SCHEMBL1828609

SCHEMBL1828609

NC(=O)Nc1[nH]c(-c2ccc3cc[nH]c3c2)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4K2A Q9BTU6 1/20 0.45
LCK P06239 1/20 0.41
BTK Q06187 1/20 0.41
RIPK2 O43353 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SYK P43405 1/20 0.38
CDC7 O00311 3/20 0.38
IKBKB O14920 3/20 0.38
CHUK O15111 3/20 0.38
CHEK1 O14757 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
ABL1 P00519 1/20 0.37
MPO P05164 1/20 0.37
ESR1 P03372 2/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL1828299 0.83 PI4K2A (0.50) PI4K2ALCKBTKRIPK2KDM4E
SCHEMBL219746 0.80 CDC7 (0.48) ALDH1A1HPGDHSD17B10CDC7IKBKB
SCHEMBL2201619 0.76 BRD4 (0.45) CDC7IKBKBJAK2
SCHEMBL2200813 0.76 ABL1 (0.40) KDM4ECDC7CHEK1JAK2ABL1
SCHEMBL2203027 0.76 IDO1 (0.43) CDC7IKBKBJAK2
SCHEMBL2198095 0.75 CDC7 (0.57) BTKSYKCDC7CHEK1ABL1
SCHEMBL2198480 0.75 NPC1 (0.46) CDC7IKBKBCHUKCHEK1
SCHEMBL2198026 0.75 CDC7 (0.57) CDC7
SCHEMBL2197274 0.75 CDC7 (0.57) BTKALDH1A1CDC7IKBKBCHEK1
SCHEMBL12509725 0.75 BRD4 (0.44) CDC7IKBKBJAK2

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.