SCHEMBL9929561

SCHEMBL9929561

Nc1cc(Nc2ccc(Oc3ccccc3)nc2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.56
PIK3CA P42336 1/20 0.48
SCN5A Q14524 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
EGFR P00533 3/20 0.45
ERBB2 P04626 1/20 0.45
LTA4H P09960 1/20 0.42
BCAT2 O15382 1/20 0.42
MAP4K4 O95819 1/20 0.41
MPO P05164 1/20 0.41

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
SCHEMBL1094522 0.88 SCN9A (0.58) SCN9ASCN5AMEN1KMT2ANPC1
SCHEMBL30046349 0.84 SCN9A (0.76) SCN9ASCN5AMEN1KMT2ANPC1
SCHEMBL374428 0.80 MEN1 (0.51) SCN9APIK3CAMEN1KMT2ANPC1
SCHEMBL14769593 0.76 SCN9A (0.56) SCN9ASCN5AMEN1KMT2ANPC1
SCHEMBL3431925 0.76 CDK1 (0.60) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL1095089 0.75 MEN1 (0.52) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL8219021 0.75 NPC1 (0.58) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL16792399 0.75 LTA4H (0.50) MEN1KMT2ANPC1RAB9ALTA4H
SCHEMBL3487003 0.74 MEN1 (0.61) SCN9ASCN5AMEN1KMT2ANPC1
SCHEMBL557685 0.74 NPC1 (0.61) NPC1RAB9ABCAT2MAP4K4KDR

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-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 SCN9A 3830/4885PIK3CA 1020/4885SCN5A 2635/4885

“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.