SCHEMBL8043903

SCHEMBL8043903

COc1ccn2ncc(-c3nc4[nH]nc(N(C)CCN5CCCCC5)c4cc3F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
SIGMAR1 Q99720 4/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EGFR P00533 1/20 0.32
CLK2 P49760 2/20 0.32
CLK3 P49761 2/20 0.32
DYRK1A Q13627 2/20 0.32
HTR7 P34969 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ACP1 P24666 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CD O00329 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GSK3B P49841 1/20 0.31

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 0.94 EGFR (0.36) MCHR1EGFRHTR7PIK3CAKDM4E
SCHEMBL13099765 0.92 EGFR (0.37) EGFRCNR1CNR2PIK3CAPIK3CD
SCHEMBL13099770 0.90 SIGMAR1 (0.35) SIGMAR1CLK2CLK3DYRK1AHTR7
SCHEMBL8041870 0.88 PIK3CA (0.34) EGFRDYRK1APIK3CAKDM4EHTR2A
SCHEMBL8054838 0.85 PIK3CA (0.36) EGFRDYRK1APIK3CAKDM4EPDE10A
SCHEMBL13099776 0.84 EGFR (0.34) EGFRHTR7KDM4E
SCHEMBL8043913 0.83 PIK3CA (0.36) EGFRPIK3CAKDM4EHTR2A
SCHEMBL8043906 0.82 PRMT5 (0.35) PIK3CAKDM4EPDE10AHTR2A
SCHEMBL8049607 0.82 PDE2A (0.39) DYRK1APIK3CAKDM4EPDE10A
SCHEMBL13099773 0.82 GRM4 (0.38) EGFRPIK3CAPIK3CDTSHRHTR2A

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 MCHR1 4779/4885SIGMAR1 3277/4885SLC6A2 4720/4885

“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.