SCHEMBL23076032

SCHEMBL23076032

S=c1nc(-c2ccccc2)nc2[nH]c3ccc(Br)cc3n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CYP19A1 P11511 1/20 0.40
▸ DCLK1 O15075 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ FER P16591 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK1G2 P78368 1/20 0.37
▸ MAP4K2 Q12851 1/20 0.37
▸ STK3 Q13188 1/20 0.37

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
SCHEMBL23076031 0.84 ADORA3 (0.43) RXFP1ALDH1A1ADORA3MEN1KMT2A
SCHEMBL23076318 0.84 MAPT (0.40) RXFP1ATMIDO1ALDH1A1MEN1
SCHEMBL23076319 0.81 ADORA3 (0.39) RXFP1ALDH1A1L3MBTL1ADORA3MEN1
SCHEMBL24663015 0.80 PGR (0.36) RXFP1ATMALDH1A1ADORA3MEN1
SCHEMBL18425290 0.72 KDM4E (0.48) RXFP1ATMALDH1A1AURKAMEN1
SCHEMBL23076182 0.71 ADORA2B (0.38) RXFP1ATMALDH1A1L3MBTL1DGAT1
SCHEMBL18463242 0.70 NPM1 (0.48) RXFP1ATMCLK2CSNK2A1DYRK1A
SCHEMBL18423792 0.69 NPM1 (0.37) CLK2CSNK2A1DYRK1ACLK4ALDH1A1
SCHEMBL18463241 0.67 AURKA (0.48) ALDH1A1AURKA
SCHEMBL20893073 0.67 CYP19A1 (0.43) RXFP1ATMCYP19A1DCLK1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-09-29 — — US disclosed
WO-2021043703-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 — — 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 (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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM RXFP1 4845/4885ATM 3068/4885CYP19A1 2836/4885

“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.

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