SCHEMBL12919002

SCHEMBL12919002

O=C(NCCN1CCCC1)c1cccc(-c2ccnc(NCCc3cccc(OC(F)(F)F)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.49
BCR P11274 1/20 0.49
MAP4K4 O95819 1/20 0.47
SMYD2 Q9NRG4 2/20 0.46
CHRM4 P08173 2/20 0.45
GLS O94925 1/20 0.44
ATR Q13535 2/20 0.44
CHRM3 P20309 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
ACP1 P24666 1/20 0.43
FYN P06241 1/20 0.42
ERN1 O75460 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42

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
SCHEMBL12918981 0.90 SMYD2 (0.56) MAP4K4SMYD2
SCHEMBL959442 0.88 GPR52 (0.53) MAP4K4ATRHRH3IKBKBCHUK
SCHEMBL12918995 0.87 MAP4K4 (0.51) MAP4K4ATRIKBKBCHUKIKBKG
SCHEMBL12918983 0.87 MAP4K4 (0.54) MAP4K4SMYD2ATRIKBKBCHUK
SCHEMBL12919015 0.86 MAP4K4 (0.50) ABL1BCRMAP4K4ATRHRH3
SCHEMBL12918996 0.86 MAP4K4 (0.51) MAP4K4SMYD2ATRHRH3IKBKB
SCHEMBL12918997 0.86 SMYD2 (0.53) ABL1BCRMAP4K4SMYD2ATR
SCHEMBL12919033 0.85 MAP4K4 (0.51) ABL1BCRMAP4K4SMYD2ATR
SCHEMBL12919026 0.85 MAP4K4 (0.52) ABL1BCRMAP4K4SMYD2ATR
SCHEMBL12919009 0.84 MAP4K4 (0.54) ABL1BCRMAP4K4SMYD2ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 ABL1 2661/4885BCR 781/4885MAP4K4 2519/4885

“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.