SCHEMBL3518045

SCHEMBL3518045

O=c1cc(N2CCC[C@@H]2CF)c2cccnc2n1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FEN1 P39748 2/20 0.34
ELANE P08246 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1A P35348 2/20 0.33
HRH1 P35367 2/20 0.33
ADRA1B P35368 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
COMT P21964 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
TIPARP Q7Z3E1 2/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3519628 0.76 GRM4 (0.39) FEN1
SCHEMBL3516498 0.70 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3516069 0.70 PRKDC (0.46) MEN1KMT2A
SCHEMBL3518929 0.69 FEN1 (0.47) MEN1KMT2AFEN1SMN1; SMN2KDM4E
SCHEMBL3514617 0.69 FEN1 (0.47) MEN1KMT2AFEN1SMN1; SMN2COMT
SCHEMBL3516410 0.68 ACVR1 (0.40) SMN1; SMN2HRH3ACVR1
SCHEMBL3514754 0.68 PIM1 (0.43) FEN1
SCHEMBL3517465 0.67 NCF1 (0.50) SMN1; SMN2
SCHEMBL3516245 0.67 GRIN2D (0.46) ADRA1AADRA1B
SCHEMBL3514866 0.66 HDAC6 (0.45) FEN1TIPARPACVR1

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 MEN1 3126/4885KMT2A 2764/4885FEN1 115/4885

“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.