SCHEMBL3519628

SCHEMBL3519628

O=c1cc(N2CCCC(F)C2)c2cccnc2n1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.39
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
F2RL1 P55085 2/20 0.35
FEN1 P39748 1/20 0.34
CTSB P07858 1/20 0.34
GRM2 Q14416 1/20 0.34
ROCK2 O75116 3/20 0.33
BTK Q06187 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
METAP2 P50579 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL3516069 0.79 PRKDC (0.46) ATRATRIPALDH1A1
SCHEMBL3518045 0.76 MEN1 (0.35) FEN1
SCHEMBL3518929 0.75 FEN1 (0.47) MAPTTP53FEN1ALDH1A1
SCHEMBL3516410 0.73 ACVR1 (0.40) ATRALDH1A1
SCHEMBL3516498 0.73 SMN1; SMN2 (0.46) MAPTTP53ROCK1ALDH1A1
SCHEMBL3514754 0.73 PIM1 (0.43) ATRATRIPFEN1
SCHEMBL3516245 0.72 GRIN2D (0.46) MAPT
SCHEMBL3514866 0.71 HDAC6 (0.45) MAPTFEN1ROCK2
SCHEMBL3517465 0.70 NCF1 (0.50) MAPTTP53ALDH1A1
SCHEMBL3533920 0.68 PIM1 (0.47) MAPTALDH1A1

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 GRM4 4870/4885ATR 2819/4885ATRIP 1895/4885

“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.