SCHEMBL3518012

SCHEMBL3518012

O=c1cc(NC(CN2CCOCC2)c2ccccc2)c2cccnc2n1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN8A Q9UQD0 2/20 0.44
MAPK1 P28482 4/20 0.40
RPS6KB1 P23443 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
MAP3K8 P41279 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
CNR2 P34972 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3518138 0.90 RPS6KB1 (0.46) SCN1ASCN5ASCN8ARPS6KB1AURKA
SCHEMBL3514710 0.80 P2RX7 (0.44) MAPK1POLB
SCHEMBL3514910 0.77 KDM4E (0.43) MEN1KMT2A
SCHEMBL3516717 0.77 KDM4E (0.43) MEN1KMT2A
SCHEMBL3514723 0.77 KDM4E (0.43) MEN1KMT2A
SCHEMBL3515736 0.75 ACP1 (0.47) POLB
SCHEMBL3515097 0.74 SMN1; SMN2 (0.48) SCN5APOLBKMT2A
SCHEMBL3516034 0.74 AURKA (0.43) RPS6KB1AURKAPOLB
SCHEMBL3518140 0.70 FEN1 (0.44) AURKAPOLBMEN1KMT2A
SCHEMBL3516223 0.69 BACE1 (0.49) RPS6KB1

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL SCN1A 1555/4885SCN5A 2983/4885SCN8A 3072/4885

“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.