SCHEMBL3262282

SCHEMBL3262282

CC(=O)OCCn1nc(N)c2cc(F)c(-c3cnn4c(C)cccc34)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
MGLL Q99685 1/20 0.32
RET P07949 1/20 0.31
PRKX P51817 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CB P42338 1/20 0.31
BUB1 O43683 1/20 0.30
CSNK1D P48730 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL7953230 0.86 PIK3CB (0.44) ALDH1A1PIK3CBGABRPGABRDGABRA1
SCHEMBL3265027 0.83 LMNA (0.41) ALDH1A1
SCHEMBL8045946 0.82 NPSR1 (0.34) ALDH1A1BUB1
SCHEMBL3233849 0.81 KDM4E (0.35) ALDH1A1PIK3CBBUB1
SCHEMBL8049619 0.72 KDM4E (0.39) ALDH1A1PIK3CB
SCHEMBL8049800 0.72 KDM4E (0.42) ALDH1A1PIK3CB
SCHEMBL13099801 0.71 APOBEC3A (0.44) ALDH1A1PIK3CB
SCHEMBL13099805 0.71 LMNA (0.42) ALDH1A1PIK3CB
SCHEMBL8041792 0.71 PIK3CB (0.43) PIK3CB
SCHEMBL7954537 0.71 MAPK1 (0.49) PIK3CB

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-2010027114-A1 USE OF PYRAZOLE-PYRIDINE DERIVATIVES AND ITS SALTS FOR TREATING OR REVENTIN OSTEOPOROSIS CHOONGWAE PHARMA CORPORATION (KR) 2010-03-11 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 KDR 2436/4885FLT3 302/4885MGLL 2445/4885

“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.