SCHEMBL3518929

SCHEMBL3518929

O=c1cc(N2CCN(c3ccccc3)CC2)c2cccnc2n1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.47
METAP1 P53582 8/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 2/20 0.42
KDR P35968 1/20 0.41
LDHA P00338 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3517465 0.84 NCF1 (0.50) MAPTTP53ALOX15HIF1ANPSR1
SCHEMBL3516498 0.80 SMN1; SMN2 (0.46) MAPTLMNAKDM4EMEN1TP53
SCHEMBL3514754 0.80 PIM1 (0.43) FEN1METAP1
SCHEMBL3517901 0.79 NPY2R (0.36) FEN1METAP1MAPTKDM4EKMT2A
SCHEMBL3516245 0.79 GRIN2D (0.46) MAPTLMNA
SCHEMBL3520091 0.78 CNR1 (0.42) FEN1FAAHMGLLKDM4EALDH1A1
SCHEMBL3516410 0.78 ACVR1 (0.40) METAP1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL3514878 0.76 GLO1 (0.39) FEN1FAAHCYP2C19ALDH1A1
SCHEMBL3514866 0.76 HDAC6 (0.45) FEN1MAPTLMNA
SCHEMBL3519628 0.75 GRM4 (0.39) FEN1MAPTTP53ALDH1A1

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 FEN1 115/4885METAP1 1108/4885MAPT 3237/4885

“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.