SCHEMBL8042727

SCHEMBL8042727

O=C(Nc1n[nH]c2nc(-c3cnn4ccccc34)c(F)cc12)c1ccccc1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK1 Q13464 2/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
BACE1 P56817 1/20 0.37
GAA P10253 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL8042730 0.91 EGFR (0.41) EPHB3RAB9ALMNAROCK1MAPT
SCHEMBL13099745 0.89 POLB (0.42) EPHB3MEN1KMT2AALDH1A1NPC1
SCHEMBL8043054 0.86 EPHB3 (0.47) EPHB3ALDH1A1NPC1HPGDRAB9A
SCHEMBL8048684 0.84 ROCK1 (0.46) EPHB3MEN1KMT2AALDH1A1NPC1
SCHEMBL13099760 0.83 ROCK1 (0.42) EPHB3ALDH1A1NPC1HPGDRAB9A
SCHEMBL8042726 0.83 EPHB3 (0.46) EPHB3NPC1RAB9ALMNAROCK1
SCHEMBL8044716 0.83 EPHB3 (0.48) EPHB3LMNAROCK1IRAK4HTT
SCHEMBL13099662 0.82 IRAK4 (0.45) EPHB3ALDH1A1NPC1RAB9ALMNA
SCHEMBL8048686 0.82 IRAK4 (0.51) EPHB3ALDH1A1LMNAROCK1KDM4E
SCHEMBL13099711 0.81 EPHB3 (0.40) EPHB3ALDH1A1NPC1HPGDLMNA

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 EPHB3 3207/4885MEN1 3210/4885KMT2A 2404/4885

“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.