SCHEMBL8041877

SCHEMBL8041877

CC(C)N(C)c1n[nH]c2nc(-c3cnn4ccc(F)cc34)c(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.34
NTRK3 Q16288 6/20 0.34
NTRK2 Q16620 6/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 1/20 0.33
LATS1 O95835 1/20 0.30
LATS2 Q9NRM7 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
SCHEMBL13099769 0.91 PIK3CA (0.33) NTRK1PIK3CAPIK3CDPIK3CB
SCHEMBL8043913 0.89 PIK3CA (0.36) PIK3CA
SCHEMBL8049886 0.87 NTRK1 (0.34) NTRK1NTRK3NTRK2PIK3CAPIK3CD
SCHEMBL13099776 0.83 EGFR (0.34) NTRK1NTRK3NTRK2
SCHEMBL13099770 0.82 SIGMAR1 (0.35) NTRK1PIK3CAPIK3CD
SCHEMBL8032410 0.82 DYRK1A (0.43) PIK3CB
SCHEMBL13099773 0.81 GRM4 (0.38) NTRK1PIK3CAPIK3CDPIK3CB
SCHEMBL8054838 0.80 PIK3CA (0.36) PIK3CA
SCHEMBL8041870 0.77 PIK3CA (0.34) PIK3CA
SCHEMBL13099768 0.75 PRMT5 (0.37) 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 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 NTRK1 2358/4885NTRK3 1930/4885NTRK2 2152/4885

“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.