SCHEMBL6896005

SCHEMBL6896005

NC(=O)C1CN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CCN1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.39
FGFR2 P21802 5/20 0.39
PIK3CA P42336 4/20 0.38
AKT1 P31749 2/20 0.36
MTOR P42345 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10280150 0.85 EGFR (0.37) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL593759 0.80 EGFR (0.41) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL6894483 0.80 EGFR (0.40) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL6893511 0.79 EGFR (0.38) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL6891509 0.78 NEK2 (0.42) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL584423 0.78 PIK3CA (0.40) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL6894442 0.77 MTOR (0.39) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL6894420 0.77 PIK3CA (0.36) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL6893434 0.76 FASN (0.40) EGFRFGFR2PIK3CAAKT1MTOR
SCHEMBL30736 0.76 ATR (0.49) PIK3CAAKT1MTORKDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 EGFR 4536/4885FGFR2 3710/4885PIK3CA 2681/4885

“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.