SCHEMBL3487000

SCHEMBL3487000

c1ccc(NNc2cc(Nc3ccc(Oc4ccccc4)cc3)ncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
SCN9A Q15858 2/20 0.52
CDK4 P11802 1/20 0.49
KDR P35968 2/20 0.49
TEK Q02763 1/20 0.49
EGFR P00533 6/20 0.48
ERBB3 P21860 5/20 0.48
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
SCN5A Q14524 1/20 0.46
RIPK2 O43353 1/20 0.45
EPHB2 P29323 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43

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 0.84 MEN1 (0.61) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL30046349 0.82 SCN9A (0.76) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL691344 0.82 MEN1 (0.59) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL2174012 0.81 SCN9A (0.61) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL2179743 0.80 MEN1 (0.61) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL691637 0.79 EGFR (0.60) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL691250 0.79 MEN1 (0.56) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL414719 0.79 MEN1 (0.70) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL8219021 0.78 NPC1 (0.58) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL2177484 0.78 EGFR (0.57) MEN1KMT2ANPC1RAB9ASCN9A

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-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 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-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MEN1 606/4885KMT2A 3318/4885NPC1 48/4885

“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.