SCHEMBL25459484

SCHEMBL25459484

CNc1cc(-c2ccc(Cl)cc2)nc(-c2cnn(C)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.48
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
PFKFB3 Q16875 6/20 0.42
KCNH2 Q12809 1/20 0.41
CHEK1 O14757 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
FYN P06241 1/20 0.40
CLK1 P49759 1/20 0.38
LRRK2 Q5S007 1/20 0.38
FLT3 P36888 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
S1PR2 O95136 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL30085870 0.83 KDR (0.50) ADORA3FGFR3KDRKCNH2CHEK1
SCHEMBL25458389 0.83 KDR (0.50) ADORA3FGFR3KDRKCNH2CHEK1
SCHEMBL24327356 0.81 FGFR3 (0.48) FGFR3KDRKCNH2CHEK1CNR1
SCHEMBL29601467 0.81 FGFR3 (0.48) FGFR3KDRKCNH2CHEK1CNR1
SCHEMBL30085837 0.81 FGFR3 (0.48) ADORA3FGFR3KDRKCNH2CHEK1
SCHEMBL25458392 0.81 FGFR3 (0.48) ADORA3FGFR3KDRKCNH2CHEK1
SCHEMBL30085408 0.80 ADORA3 (0.45) ADORA3FGFR3KDRPFKFB3FYN
SCHEMBL28894952 0.80 ADORA3 (0.45) ADORA3FGFR3KDRPFKFB3FYN
SCHEMBL28894950 0.80 ADORA3 (0.45) ADORA3FGFR3KDRPFKFB3FYN
SCHEMBL25458385 0.79 IRAK1 (0.49) ADORA3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 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-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 ADORA3 112/4885FGFR3 175/4885KDR 590/4885

“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.