SCHEMBL3515937

SCHEMBL3515937

O=c1cc(-c2cccc(CN3CCN(Cc4ccccc4)CC3)c2)c2cccnc2n1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
DRD3 P35462 6/20 0.47
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
FAAH O00519 2/20 0.41
ACHE P22303 3/20 0.41
APP P05067 2/20 0.41
BCHE P06276 2/20 0.41
MGLL Q99685 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL3519489 0.89 KDR (0.46) DRD2DRD4DRD3FAAHMGLL
SCHEMBL3519661 0.89 HDAC1 (0.44) DRD2DRD4DRD3USP2TP53
SCHEMBL3515093 0.86 ALDH1A1 (0.47) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL3514697 0.84 DRD2 (0.44) DRD2DRD4DRD3USP2TP53
SCHEMBL3515077 0.83 PRKCI (0.41)
SCHEMBL3519733 0.82 PRMT5 (0.40) MAPT
SCHEMBL3517465 0.81 NCF1 (0.50) USP2TP53ALOX15NFKB1NFKB2
SCHEMBL4460861 0.81 FEN1 (0.47) ALDH1A1TSHRKMT2A
SCHEMBL13435309 0.81 CYP1A2 (0.41) ALOX15ALDH1A1MAPT
SCHEMBL3514716 0.80 PRMT5 (0.39)

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 4 patents. 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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 DRD2 1821/4885DRD4 994/4885DRD3 1874/4885

“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.