SCHEMBL4900523

SCHEMBL4900523

COc1ccc(-c2cc(C3CC3)nc3sc4c(N)ncnc4c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KDM4E B2RXH2 5/20 0.60
HPGD P15428 4/20 0.60
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CDK8 P49336 1/20 0.60
CDK19 Q9BWU1 1/20 0.60
CDC7 O00311 5/20 0.57
DBF4 Q9UBU7 5/20 0.57
GAA P10253 1/20 0.55
RCE1 Q9Y256 1/20 0.55
CLK1 P49759 2/20 0.53
LIMK1 P53667 4/20 0.49
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
LMNA P02545 1/20 0.44
PLK4 O00444 1/20 0.44
IKBKB O14920 1/20 0.44

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
SCHEMBL4902783 0.83 PPARG (0.64) KDM4EHPGDCDC7DBF4CLK1
SCHEMBL17624907 0.80 KDM4E (0.53) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL431028 0.75 CDK8 (1.00) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL4899965 0.74 CDC7 (0.58) MAPTKDM4EHPGDALDH1A1CDC7
SCHEMBL12969722 0.73 CDC7 (1.00) MAPTKDM4EHPGDALDH1A1CDC7
SCHEMBL4899938 0.72 LIMK1 (0.66) MAPTKDM4EHPGDALDH1A1CDC7
SCHEMBL4899880 0.71 KDM4E (0.62) MAPTKDM4EHPGDALDH1A1CDC7
SCHEMBL4905558 0.70 CDC7 (0.66) MAPTKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL4900157 0.69 HPGD (0.62) MAPTKDM4EHPGDCDC7DBF4
SCHEMBL12969692 0.66 LIMK1 (1.00) CLK1LIMK1

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-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 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 (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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 MAPT 4573/4885KDM4E 3715/4885HPGD 53/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 MAPT 4573/4885KDM4E 3715/4885HPGD 53/4885

“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.