SCHEMBL4903009

SCHEMBL4903009

Cc1cc(C)c2c(n1)sc1c(N)ncnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 1.00
DBF4 Q9UBU7 5/20 1.00
PLK4 O00444 2/20 1.00
AURKA O14965 2/20 1.00
ROCK2 O75116 2/20 1.00
PIM1 P11309 2/20 1.00
PRKACA P17612 2/20 1.00
RPS6KB1 P23443 2/20 1.00
CDK2 P24941 2/20 1.00
MARK3 P27448 2/20 1.00
FLT4 P35916 2/20 1.00
KDR P35968 2/20 1.00
CSNK1D P48730 2/20 1.00
GSK3A P49840 2/20 1.00
LIMK1 P53667 2/20 1.00
STK3 Q13188 2/20 1.00
ROCK1 Q13464 2/20 1.00
DYRK1A Q13627 2/20 1.00
MARK2 Q7KZI7 2/20 1.00
AURKB Q96GD4 2/20 1.00

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
SCHEMBL21523008 0.84 CHRM4 (1.00) CDC7DBF4PLK4AURKAROCK2
SCHEMBL4899947 0.83 IKBKB (0.71) CDC7DBF4PLK4AURKAROCK2
SCHEMBL4893099 0.82 CDC7 (0.69) CDC7DBF4PLK4AURKAROCK2
SCHEMBL259291 0.80 CDC7 (0.66) CDC7DBF4PLK4AURKAROCK2
SCHEMBL4905558 0.80 CDC7 (0.66) CDC7DBF4PLK4AURKAROCK2
SCHEMBL21523000 0.79 CHRM4 (0.69) CDC7DBF4PLK4AURKAROCK2
SCHEMBL21523007 0.77 CHRM4 (0.66) CDC7DBF4PLK4AURKAROCK2
SCHEMBL21523001 0.77 CHRM4 (1.00) CDC7DBF4PLK4AURKAROCK2
SCHEMBL30137733 0.77 CHRM4 (0.66) CDC7DBF4PLK4AURKAROCK2
SCHEMBL12969908 0.77 KDM4E (0.63) CDC7DBF4PLK4AURKAROCK2

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-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
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 WO 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 CDC7 1740/4885DBF4 2118/4885PLK4 2455/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 CDC7 1740/4885DBF4 2118/4885PLK4 2455/4885

“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.