SCHEMBL3533920

SCHEMBL3533920

O=c1cc(Nc2ccccc2N2CCCCC2)c2cccnc2n1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.47
PIM3 Q86V86 2/20 0.47
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
PIM2 Q9P1W9 1/20 0.43
EPAS1 Q99814 1/20 0.41
CSF1R P07333 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.39
ADRA1A P35348 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3515097 0.89 SMN1; SMN2 (0.48) MAPTALDH1A1KMT2A
SCHEMBL3518140 0.78 FEN1 (0.44) GAAMAPTALDH1A1TSHRMEN1
SCHEMBL3515039 0.76 FABP3 (0.43) ALDH1A1TSHR
SCHEMBL3516411 0.74 ALK (0.41)
SCHEMBL18136095 0.73 FEN1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL3518138 0.73 RPS6KB1 (0.46) NPSR1LMNAL3MBTL1
SCHEMBL3518929 0.72 FEN1 (0.47) GAANPSR1MAPTALDH1A1LMNA
SCHEMBL3514751 0.72 SIRT2 (0.45)
SCHEMBL3520091 0.71 CNR1 (0.42) ALDH1A1
SCHEMBL3519112 0.70 MEN1 (0.54) ALDH1A1MEN1KMT2A

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 PIM1 2103/4885PIM3 3250/4885GAA 161/4885

“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.