SCHEMBL8048684

SCHEMBL8048684

Cc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cnn4ccccc34)c(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
EPHB3 P54753 5/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
FGFR4 P22455 1/20 0.38
PIK3CB P42338 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8043054 0.93 EPHB3 (0.47) ROCK1LMNAHTTNPC1RAB9A
SCHEMBL8042726 0.91 EPHB3 (0.46) ROCK1LMNAHTTNPC1RAB9A
SCHEMBL13099760 0.90 ROCK1 (0.42) ROCK1LMNAHTTNPC1RAB9A
SCHEMBL8048686 0.90 IRAK4 (0.51) ROCK1LMNAHTTEPHB3IRAK4
SCHEMBL8044716 0.90 EPHB3 (0.48) ROCK1LMNAHTTEPHB3IRAK4
SCHEMBL13099662 0.89 IRAK4 (0.45) ROCK1LMNAHTTNPC1RAB9A
SCHEMBL13099711 0.87 EPHB3 (0.40) ROCK1LMNAHTTNPC1EPHB3
SCHEMBL13099704 0.86 CDK2 (0.42) ROCK1LMNAHTTNPC1RAB9A
SCHEMBL8042730 0.86 EGFR (0.41) ROCK1LMNAHTTRAB9AEPHB3
SCHEMBL8043069 0.86 GSK3B (0.52) ROCK1LMNAHTTRAB9AEPHB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 ROCK1 250/4885LMNA 2434/4885HTT 3512/4885

“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.