SCHEMBL14773075

SCHEMBL14773075

N#CC1(C(=O)Nc2cccc(Nc3cc(Nc4ccc(OCc5ccccn5)c(CI)c4)ncn3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 13/20 0.40
▸ EGFR P00533 7/20 0.40
▸ LCK P06239 1/20 0.40
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ P2RX4 Q99571 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MET P08581 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL12262301 0.89 ERBB2 (0.52) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL12310644 0.89 ERBB2 (0.47) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL14773095 0.82 BACE1 (0.42) EGFRBTKMETKDR
SCHEMBL13857447 0.75 ERBB2 (0.47) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL12262304 0.75 ERBB2 (0.54) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL12510766 0.73 BACE1 (0.43) EGFRBTKMETKDR
SCHEMBL23308002 0.72 TYK2 (0.39) ERBB2EGFRALOX15SMN1; SMN2BTK
SCHEMBL12322295 0.72 EGFR (0.57) ERBB2EGFRLCK
SCHEMBL12310628 0.72 BACE1 (0.45) EGFRMETKDR
SCHEMBL691621 0.72 EGFR (0.43) ERBB2EGFRAURKARPS6KB1MAPT

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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — 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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885LCK 1775/4885

“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.

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