SCHEMBL4318674

SCHEMBL4318674

O=C(C1CC1)N1CCc2nc(Cl)nc(NCc3ccc(Cl)cc3Cl)c2C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.45
▸ CCR4 P51679 10/20 0.44
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL4325799 0.91 GPR6 (0.43) —
SCHEMBL4326289 0.88 EPHX2 (0.41) EPHX2CCR4MAPK1
SCHEMBL4312591 0.84 CCR4 (0.46) EPHX2CCR4
SCHEMBL4318911 0.83 ALDH1A1 (0.48) EPHX2MAPK1
SCHEMBL4316443 0.79 BCDIN3D (0.41) —
SCHEMBL4315802 0.78 CCR4 (0.41) CCR4
SCHEMBL4317791 0.78 ALDH1A1 (0.47) EPHX2MAPK1
SCHEMBL4318035 0.77 PDE10A (0.38) —
SCHEMBL4311880 0.76 GPR6 (0.39) CCR4
SCHEMBL4202027 0.76 CCR4 (0.42) EPHX2CCR4

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 EPHX2 4462/4885CCR4 6/4885MAPK1 1169/4885

“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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