SCHEMBL8043913

SCHEMBL8043913

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
EPHB3 P54753 1/20 0.32
TGFBR2 P37173 1/20 0.32
AMY1A P0DUB6 1/20 0.31
EGFR P00533 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL8054838 0.91 PIK3CA (0.36) PIK3CAPRMT5WDR77PRKAB2PRKAG1
SCHEMBL8041877 0.89 NTRK1 (0.34) PIK3CA
SCHEMBL8041870 0.88 PIK3CA (0.34) PIK3CAPRMT5WDR77PRKAB2PRKAG1
SCHEMBL8043906 0.86 PRMT5 (0.35) PIK3CAPRMT5WDR77PRKAB2PRKAG1
SCHEMBL13099766 0.84 EGFR (0.36) PIK3CAPRMT5WDR77EGFRALDH1A1
SCHEMBL3243059 0.84 PRMT5 (0.36) PIK3CAPRMT5WDR77PRKAB2PRKAG1
SCHEMBL8043903 0.83 MCHR1 (0.36) PIK3CAEGFRHTR2AKDM4E
SCHEMBL13099740 0.83 IGF1R (0.35) PIK3CAPRMT5WDR77PRKAB2PRKAG1
SCHEMBL13099765 0.82 EGFR (0.37) PIK3CAEGFRALDH1A1KDM4E
SCHEMBL13099739 0.81 EPHB3 (0.39) PIK3CAPRKAB2PRKAG1PRKAA2PRKAA1

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 PIK3CA 167/4885PRMT5 692/4885WDR77 2472/4885

“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.