SCHEMBL7954537

SCHEMBL7954537

Nc1nn(CCO)c2nc(-c3cnn4ccccc34)c(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.49
PIK3CB P42338 2/20 0.43
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
IGF1R P08069 3/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 4/20 0.35
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
EPHB3 P54753 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
EGFR P00533 1/20 0.33
FEN1 P39748 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8041792 0.90 PIK3CB (0.43) MAPK1PIK3CBAKT1AKT2IGF1R
SCHEMBL8034850 0.86 PIK3CB (0.40) MAPK1PIK3CBIGF1RJAK2EGFR
SCHEMBL7953230 0.85 PIK3CB (0.44) MAPK1PIK3CBIGF1RJAK2JAK1
SCHEMBL3239677 0.84 MAPK1 (0.36) MAPK1PIK3CBAKT1AKT2EPHB3
SCHEMBL8037395 0.82 IGF1R (0.38) MAPK1PIK3CBIGF1RKCNH2JAK2
SCHEMBL13099810 0.82 PIK3CB (0.41) MAPK1PIK3CBAKT1AKT2IGF1R
SCHEMBL7950685 0.81 ALDH1A1 (0.43) MAPK1PIK3CBJAK2JAK1JAK3
SCHEMBL8049613 0.81 ATM (0.42) MAPK1PIK3CBIGF1RKCNH2JAK2
SCHEMBL8043064 0.79 EGFR (0.41) MAPK1PIK3CBIGF1RKCNH2JAK2
SCHEMBL8037402 0.79 APOBEC3A (0.46) MAPK1PIK3CBIGF1RKCNH2JAK2

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
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
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 MAPK1 164/4885PIK3CB 101/4885AKT1 156/4885

“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.