SCHEMBL1748994

SCHEMBL1748994

COc1ccccc1Nc1nc(Nc2cccc(O)c2)nc(C(N)=O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
MAPK8 P45983 6/20 0.48
CHEK1 O14757 2/20 0.48
PAK4 O96013 2/20 0.48
CDK2 P24941 2/20 0.48
MAPK1 P28482 2/20 0.48
PLK1 P53350 2/20 0.48
CSNK2A1 P68400 2/20 0.48
CSNK2A2 P19784 1/20 0.48
AKT1 P31749 1/20 0.48
CSNK2B P67870 1/20 0.48
MAP2K1 Q02750 1/20 0.48
AURKA O14965 4/20 0.46
LRRK2 Q5S007 1/20 0.46
JAK2 O60674 3/20 0.45
TYK2 P29597 3/20 0.45
JAK3 P52333 3/20 0.45
JAK1 P23458 2/20 0.45
MAPK9 P45984 2/20 0.45
AURKB Q96GD4 2/20 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
SCHEMBL4221102 0.78 CDC25B (0.43) HSD17B10AURKAEGFRGSK3AGSK3B
SCHEMBL4049191 0.76 MEN1 (0.61) HSD17B10MAPK8MAPK1JAK2TYK2
SCHEMBL301187 0.75 MAPK8 (0.41) MAPK8CHEK1PAK4CDK2MAPK1
SCHEMBL4223368 0.75 GSK3A (0.51) MAPK1GSK3AGSK3BCDK5NR1I2
SCHEMBL654384 0.74 RAB9A (0.52) TYK2JAK1PDPK1PIM1FGFR1
SCHEMBL1749409 0.74 ALDH1A1 (0.41) HSD17B10AURKAJAK2TYK2JAK3
SCHEMBL300795 0.74 KDM4E (0.59) HSD17B10MAPK1CSNK2A1CSNK2A2CSNK2B
SCHEMBL4228405 0.73 HSD17B10 (0.45) HSD17B10AURKAGSK3AGSK3BCDK5
SCHEMBL4230926 0.71 CSNK1D (0.46) HSD17B10ABCB1ABCG2CSNK1D
SCHEMBL27775430 0.68 XDH (0.50) MAPK8CHEK1PAK4CDK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 HSD17B10 1113/4885MAPK8 358/4885CHEK1 12/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC HSD17B10 1007/4885MAPK8 244/4885CHEK1 8/4885

“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.