SCHEMBL3228319

SCHEMBL3228319

COc1ccn2ncc(-c3nc4[nH]ncc4cc3F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR2 P37173 1/20 0.37
EPHB3 P54753 1/20 0.37
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
SGK1 O00141 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AMY1A P0DUB6 1/20 0.33
PIK3CA P42336 1/20 0.33
PDE2A O00408 2/20 0.32
FYN P06241 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
METAP2 P50579 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL3243059 0.83 PRMT5 (0.36) TGFBR2EPHB3KDM4EPRMT5WDR77
SCHEMBL8054838 0.80 PIK3CA (0.36) TGFBR2EPHB3KDM4EPRMT5WDR77
SCHEMBL8045820 0.80 CCNK (0.41) EPHB3PRMT5WDR77ROCK1NPC1
SCHEMBL8043906 0.78 PRMT5 (0.35) TGFBR2EPHB3KDM4EPKMPRMT5
SCHEMBL8049607 0.78 PDE2A (0.39) KDM4EPKMPRMT5WDR77MAPT
SCHEMBL13099628 0.78 ALDH1A1 (0.40) TGFBR2EPHB3KDM4EMAPTL3MBTL1
SCHEMBL8043913 0.77 PIK3CA (0.36) TGFBR2EPHB3KDM4EPRMT5WDR77
SCHEMBL8047356 0.77 MAP4K1 (0.38) PDE2APIM1MAPK1
SCHEMBL8041870 0.77 PIK3CA (0.34) TGFBR2EPHB3KDM4EPRMT5WDR77
SCHEMBL3227639 0.74 FGFR1 (0.41) EPHB3MAPTNPC1RAB9A

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-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
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 TGFBR2 3333/4885EPHB3 3207/4885KDM4E 1683/4885

“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.