SCHEMBL8043064

SCHEMBL8043064

C/C=C/C(=O)Nc1nn(CCO)c2nc(-c3cnn4ccccc34)c(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.41
PIK3CB P42338 2/20 0.39
JAK1 P23458 5/20 0.36
JAK3 P52333 5/20 0.36
IGF1R P08069 3/20 0.36
KCNH2 Q12809 2/20 0.36
EPHB3 P54753 1/20 0.36
JAK2 O60674 4/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8049613 0.88 ATM (0.42) EGFRPIK3CBJAK1JAK3IGF1R
SCHEMBL7950685 0.86 ALDH1A1 (0.43) EGFRPIK3CBJAK1JAK3EPHB3
SCHEMBL8054923 0.85 RAB9A (0.42) PIK3CBJAK1JAK3IGF1RKCNH2
SCHEMBL8037402 0.85 APOBEC3A (0.46) EGFRPIK3CBJAK1JAK3IGF1R
SCHEMBL8043059 0.84 ALDH1A1 (0.39) EGFRPIK3CBJAK1JAK3EPHB3
SCHEMBL7954533 0.83 AXL (0.40) PIK3CBJAK1JAK3EPHB3JAK2
SCHEMBL7942597 0.83 CCNT1 (0.40) JAK1JAK3IGF1RKCNH2JAK2
SCHEMBL13099804 0.83 ADORA3 (0.40) EGFRPIK3CBJAK1JAK3IGF1R
SCHEMBL7952511 0.80 ALDH1A1 (0.50) PIK3CBATML3MBTL1KDM4EMEN1
SCHEMBL7954537 0.79 MAPK1 (0.49) EGFRPIK3CBJAK1JAK3IGF1R

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 EGFR 1045/4885PIK3CB 101/4885JAK1 148/4885

“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.