SCHEMBL30046641

SCHEMBL30046641

c1ccc(Oc2ccc(Nc3ccncn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.52
SCN5A Q14524 1/20 0.52
KDR P35968 2/20 0.49
ERBB2 P04626 1/20 0.49
TEK Q02763 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
KCNH2 Q12809 1/20 0.44
MPL P40238 1/20 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
SCHEMBL1323687 0.84 MAPT (0.53) KDRMEN1NPC1RAB9AKMT2A
SCHEMBL24178149 0.81
SCHEMBL30062475 0.80 MEN1 (0.67) MEN1NPC1RAB9AKMT2A
SCHEMBL30046984 0.79 KDR (0.54) SCN9ASCN5AKDRERBB2TEK
SCHEMBL14843891 0.77 MKNK1 (0.49) KDRMPL
SCHEMBL30046349 0.76 SCN9A (0.76) SCN9ASCN5AKDRERBB2TEK
SCHEMBL16144467 0.75 ALDH1A1 (0.54) KDRERBB2MEN1RAB9AKMT2A
SCHEMBL15522350 0.75 SCN9A (0.59) SCN9ASCN5AKDRERBB2TEK
SCHEMBL3487003 0.75 MEN1 (0.61) SCN9ASCN5AKDRTEKMEN1
SCHEMBL2174012 0.75 SCN9A (0.61) SCN9ASCN5AKDRTEKMEN1

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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 US disclosed
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2022-11-08 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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK SCN9A 4436/4885SCN5A 4402/4885KDR 1059/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK SCN9A 4436/4885SCN5A 4402/4885KDR 1059/4885

“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.