SCHEMBL3460016

SCHEMBL3460016

CCN1CCCC(c2nnc(-c3nc(-c4cccc(CN[C@H]5CCc6ccccc65)c4)cnc3N)[nH]2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
ATR Q13535 10/20 0.35
PRMT5 O14744 1/20 0.35
MAP4K4 O95819 2/20 0.35
EGFR P00533 1/20 0.34
DHFR P00374 1/20 0.34
PDE2A O00408 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGDS O60760 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
SCHEMBL3461663 0.84 ATR (0.47) ATREGFRPDE2AHPGDS
SCHEMBL3461378 0.83 ATR (0.39) HRH3ATRMAP4K4EGFRDHFR
SCHEMBL3459945 0.82 ATR (0.37) ATRMAP4K4DHFR
SCHEMBL3461062 0.82 ATR (0.40) ATRMAP4K4DHFR
SCHEMBL3460064 0.81 ATR (0.40) HRH3ATRMAP4K4DHFR
SCHEMBL3461046 0.80 MAP4K4 (0.38) HRH3ATRPRMT5MAP4K4EGFR
SCHEMBL3462255 0.77 ATR (0.51) ATRMAP4K4DHFR
SCHEMBL3461120 0.74 ATR (0.52) ATRMAP4K4DHFRKDM4E
SCHEMBL3460719 0.74 ATR (0.41) ATRMAP4K4DHFR
SCHEMBL3461471 0.74 ATR (0.39) HRH3ATRMAP4K4DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 HRH3 1576/4885ATR 556/4885PRMT5 965/4885

“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.