SCHEMBL4896831

SCHEMBL4896831

Cc1cc(-c2ccco2)c2c(n1)sc1c(N)nc(N)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.57
LIMK1 P53667 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43
ROCK2 O75116 1/20 0.43
FYN P06241 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
AKT1 P31749 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43
PRKCD Q05655 1/20 0.43
ITK Q08881 1/20 0.43

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
SCHEMBL4899947 0.76 IKBKB (0.71) IKBKBLIMK1CDC7PLK4AURKA
SCHEMBL4198561 0.73 IKBKB (1.00) IKBKBLIMK1CHUKPRKACAEEF2K
SCHEMBL4899003 0.72 MEN1 (0.59) IKBKBLIMK1CDC7PLK4AURKA
SCHEMBL4903289 0.70 MAPT (0.74) IKBKBLIMK1CDC7PLK4AURKA
SCHEMBL4899997 0.68 MAPT (0.50) LIMK1MAPTKDM4EHSD17B10KMT2A
SCHEMBL4905558 0.68 CDC7 (0.66) IKBKBLIMK1CDC7PLK4AURKA
SCHEMBL4901399 0.67 KAT8 (0.52) IKBKBLIMK1PIM1MAPTKDM4E
SCHEMBL4902352 0.67 MAPT (0.46) IKBKBLIMK1MAPTKDM4EUSP2
SCHEMBL4903044 0.66 MAPT (0.70) IKBKBLIMK1CDC7PLK4AURKA
SCHEMBL30353595 0.65 ADORA2A (0.50) MAPTKDM4EHSD17B10KMT2AMEN1

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 IKBKB 178/4885LIMK1 4013/4885CDC7 1740/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 IKBKB 178/4885LIMK1 4013/4885CDC7 1740/4885

“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.