SCHEMBL5122706

SCHEMBL5122706

C(#Cc1ccc(-c2nc3cnccn3c2NCC2CCCCC2)s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.41
SALL4 Q9UJQ4 3/20 0.39
ALOX5 P09917 2/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
FGFR1 P11362 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT4 P35916 1/20 0.38
FRK P42685 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1G2 P78368 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
PRKD2 Q9BZL6 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
SCHEMBL5127725 0.88 CDK9 (0.43) CDK9SALL4ALOX5PRKD3MAP4K4
SCHEMBL5119932 0.86 ALOX5 (0.54) SALL4ALOX5MAPK1ALDH1A1GAA
SCHEMBL5129397 0.85 GAA (0.53) SALL4ALOX5MAPK1ALDH1A1GAA
SCHEMBL5129074 0.85 GAA (0.46) ALOX5MAPK1ALDH1A1GAAKDM4E
SCHEMBL5118754 0.84 CDK9 (0.45) CDK9SALL4MAPK1ALDH1A1GAA
SCHEMBL5130358 0.83 CDK9 (0.60) CDK9SALL4ALDH1A1GAAKDM4E
SCHEMBL5124867 0.83 GAA (0.40) ALOX5PRKD3PRKCGMAPK1CSNK1A1
SCHEMBL5129310 0.83 CDK9 (0.44) CDK9SALL4MAPK1ALDH1A1GAA
SCHEMBL5116936 0.82 NR1H4 (0.44) ALOX5ALDH1A1GAAGFER
SCHEMBL5121028 0.82 CDK9 (0.45) CDK9SALL4MAPK1ALDH1A1GAA

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
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS CDK9 1013/4885SALL4 1775/4885ALOX5 4142/4885

“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.