SCHEMBL4311911

SCHEMBL4311911

CC(C)(C)OC(=O)N1CCc2nc(N3CCC(C(=O)O)CC3)nc(NCc3ccc(F)cc3Cl)c2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GPR6 P46095 6/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL4321806 0.93 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4321562 0.92 IGF1R (0.41) CYP2D6PKMCYP2C19TRPV1MKNK1
SCHEMBL4311781 0.85 MTOR (0.41) CYP2D6PKMCYP2C19MKNK1MTOR
SCHEMBL6224231 0.83 ALDH1A1 (0.44) MKNK1MTORALDH1A1MAPT
SCHEMBL4315596 0.80 EPHX2 (0.46) MTOREPHX2ALDH1A1MAPT
SCHEMBL4314414 0.79 ALDH1A1 (0.41) MKNK1MTORALDH1A1MAPT
SCHEMBL4321752 0.79 CCR4 (0.42) MTORALDH1A1MAPT
SCHEMBL4315802 0.79 CCR4 (0.41) CYP2D6PKMCYP2C19GPR6
SCHEMBL4310488 0.79 ALDH1A1 (0.43) MKNK1MTOREPHX2ALDH1A1MAPT
SCHEMBL4318911 0.77 ALDH1A1 (0.48) MKNK1MTOREPHX2ALDH1A1MAPT

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-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 — — US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 — — US disclosed
EP-1552842-A1 BICYCLIC PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-07-13 — — EP 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-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 CYP2D6 4256/4885PKM 3746/4885CYP2C19 4677/4885

“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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