SCHEMBL13099765

SCHEMBL13099765

COc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCOCC5)c4cc3F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
GRM4 Q14833 3/20 0.36
MAPK1 P28482 1/20 0.35
SRC P12931 2/20 0.34
CHEK1 O14757 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
NME2 P22392 1/20 0.33
ADRA1B P35368 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL13099766 0.93 EGFR (0.36) EGFRPIK3CAKDM4EALDH1A1
SCHEMBL8043903 0.92 MCHR1 (0.36) EGFRCNR1CNR2PIK3CDPIK3CA
SCHEMBL13099773 0.91 GRM4 (0.38) EGFRGRM4PIK3CDPIK3CAPIK3CB
SCHEMBL8041870 0.86 PIK3CA (0.34) EGFRPIK3CAKDM4EALDH1A1
SCHEMBL8054838 0.83 PIK3CA (0.36) EGFRMAPK1PIK3CAKDM4EALDH1A1
SCHEMBL13099776 0.83 EGFR (0.34) EGFRGRM4TLR7KDM4EALDH1A1
SCHEMBL13099770 0.82 SIGMAR1 (0.35) PIK3CDPIK3CAKDM4EALDH1A1
SCHEMBL8043913 0.82 PIK3CA (0.36) EGFRPIK3CAKDM4EALDH1A1
SCHEMBL8043906 0.81 PRMT5 (0.35) MAPK1PIK3CAKDM4EALDH1A1
SCHEMBL13099740 0.78 IGF1R (0.35) EGFRPIK3CAALDH1A1

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 2 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

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 1045/4885GRM4 4006/4885MAPK1 164/4885

“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.