SCHEMBL3770544

SCHEMBL3770544

N#Cc1sc(NC(=O)C2CCC(OC=O)CC2)nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
BRAF P15056 7/20 0.47
JAK2 O60674 1/20 0.45
ADORA3 P0DMS8 3/20 0.43
RIPK1 Q13546 4/20 0.42
RIPK3 Q9Y572 4/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
RAF1 P04049 1/20 0.42
PDGFA P04085 1/20 0.42
CDK1 P06493 1/20 0.42
PDGFRB P09619 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
FGFR3 P22607 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
MAP2K1 Q02750 1/20 0.42
TEK Q02763 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL3764638 0.91 BRAF (0.42) KDRBRAFJAK2ADORA3RIPK1
SCHEMBL1850397 0.88 ADORA3 (0.54) ADORA3GSK3BADORA2AADORA1
SCHEMBL1848089 0.88 JAK2 (0.48) KDRBRAFJAK2ADORA3RIPK1
SCHEMBL1846930 0.88 ADORA3 (0.53) KDRBRAFJAK2ADORA3RIPK1
SCHEMBL1849890 0.87 ADORA3 (0.44) JAK2ADORA3GSK3BADORA2AADORA1
SCHEMBL1852777 0.87 ADORA2A (0.52) ADORA3GSK3BADORA2AADORA1
SCHEMBL1847125 0.83 ADORA3 (0.53) ADORA3GSK3BADORA2AADORA1
SCHEMBL1849863 0.83 ADORA2B (0.46) JAK2ADORA3GSK3BADORA2AADORA1
SCHEMBL3775335 0.82 ADORA3 (0.48) KDRBRAFJAK2ADORA3RIPK1
SCHEMBL1854145 0.82 ADORA3 (0.48) KDRBRAFJAK2ADORA3RIPK1

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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 US claimed
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US disclosed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 KDR 463/4885BRAF 2027/4885JAK2 2656/4885

“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.