SCHEMBL30046349

SCHEMBL30046349

Nc1cc(Nc2ccc(Oc3ccccc3)cc2)ncn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.76
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SCN5A Q14524 4/20 0.58
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
KDR P35968 1/20 0.51
TEK Q02763 1/20 0.51
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
KCNH2 Q12809 2/20 0.50
EGFR P00533 3/20 0.47
ERBB3 P21860 2/20 0.47

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
SCHEMBL3487003 0.89 MEN1 (0.61) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL12262446 0.85 SCN9A (0.64) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL3431925 0.85 CDK1 (0.60) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL691344 0.84 MEN1 (0.59) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL14769593 0.84 SCN9A (0.56) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL9929561 0.84 SCN9A (0.56) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL2174012 0.83 SCN9A (0.61) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL3487000 0.82 MEN1 (0.64) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL1095089 0.81 MEN1 (0.52) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL10187337 0.81 MEN1 (0.81) SCN9AMEN1KMT2ANPC1RAB9A

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 4436/4885MEN1 3993/4885KMT2A 1280/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK SCN9A 4436/4885MEN1 3993/4885KMT2A 1280/4885

“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.