SCHEMBL4711595

SCHEMBL4711595

Cc1ccc(Nc2nc(On3nnc4ccccc43)ncc2C(N)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.76
ZAP70 P43403 3/20 0.47
AURKB Q96GD4 3/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK3 P27361 2/20 0.43
MAPK1 P28482 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAPK8 P45983 2/20 0.43
MAPK9 P45984 1/20 0.43
PDE4B Q07343 3/20 0.42
KDM4E B2RXH2 1/20 0.41
TNKS O95271 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL2627345 0.92 SYK (0.76) SYKZAP70AURKBKCNH2
SCHEMBL1354608 0.90 SYK (0.75) SYKZAP70AURKBKCNH2
SCHEMBL2627316 0.88 SYK (0.83) SYKAURKBMAPK8MAPK9
SCHEMBL2627264 0.87 SYK (1.00) SYKAURKBNPC1RAB9AMAPK8
SCHEMBL12942865 0.87 SYK (0.66) SYKAURKBMAPK8MAPK9PDE4B
SCHEMBL14977622 0.86 SYK (0.83) SYKZAP70AURKBNPC1RAB9A
SCHEMBL13495930 0.86 SYK (0.67) SYKZAP70AURKBMAPK8MAPK9
SCHEMBL2627133 0.84 SYK (0.69) SYK
SCHEMBL2627261 0.84 SYK (1.00) SYKAURKBNPC1RAB9AMAPT
SCHEMBL14977553 0.84 SYK (0.66) SYKZAP70AURKBSMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-1054004-B1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-07-16 EP disclosed
US-6432963-B1 ANTIINFLAMMATORY AGENTS; TYROSINE KINASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-08-13 US disclosed
EP-1054004-A1 NOVEL PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-11-22 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 (2 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-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK SYK 1/4885ZAP70 5/4885AURKB 110/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885ZAP70 50/4885AURKB 405/4885

“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.