SCHEMBL4318806

SCHEMBL4318806

CC(C)(C)OC(=O)N=C(NCCN1CCN(c2nc3c(c(NCc4ccc(Cl)cc4Cl)n2)CN(C(=O)C2CC2)CC3)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 13/20 0.39
▸ EPHX2 P34913 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4315596 0.79 EPHX2 (0.46) CCR4EPHX2ALDH1A1
SCHEMBL4310488 0.78 ALDH1A1 (0.43) CCR4EPHX2ALDH1A1
SCHEMBL4312591 0.76 CCR4 (0.46) CCR4EPHX2
SCHEMBL4321806 0.76 ALDH1A1 (0.45) CCR4EPHX2ALDH1A1
SCHEMBL4321752 0.75 CCR4 (0.42) CCR4ALDH1A1
SCHEMBL6224231 0.74 ALDH1A1 (0.44) CCR4ALDH1A1
SCHEMBL4317198 0.74 GPR6 (0.39) —
SCHEMBL4318674 0.73 EPHX2 (0.45) CCR4EPHX2
SCHEMBL4314414 0.73 ALDH1A1 (0.41) CCR4ALDH1A1
SCHEMBL4317863 0.73 DPP4 (0.42) CCR4ALDH1A1

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 CCR4 6/4885EPHX2 4462/4885ALDH1A1 4356/4885

“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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