SCHEMBL4317856

SCHEMBL4317856

CCN(C=O)N1CCc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)nc(NCc3ccc(Cl)cc3Cl)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ CCR4 P51679 8/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ STS P08842 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL4321752 0.82 CCR4 (0.42) DPP4CCR4ALDH1A1ACHEROCK2
SCHEMBL4314414 0.82 ALDH1A1 (0.41) DPP4CCR4ALDH1A1ACHEROCK2
SCHEMBL4317863 0.82 DPP4 (0.42) DPP4CCR4ALDH1A1ACHEROCK2
SCHEMBL4310488 0.80 ALDH1A1 (0.43) DPP4CCR4ALDH1A1ROCK2CHEK2
SCHEMBL4321806 0.79 ALDH1A1 (0.45) CCR4ALDH1A1ROCK2CHEK2PRKACA
SCHEMBL6224231 0.79 ALDH1A1 (0.44) CCR4ALDH1A1ROCK2CHEK2PRKACA
SCHEMBL4318911 0.77 ALDH1A1 (0.48) ALDH1A1ROCK2CHEK2PRKACARPS6KA3
SCHEMBL4317791 0.76 ALDH1A1 (0.47) DPP4ALDH1A1ACHEROCK2CHEK2
SCHEMBL13780316 0.74 PTPN11 (0.49) DPP4CCR4ALDH1A1ACHEROCK2
SCHEMBL13780301 0.73 DPP4 (0.45) DPP4CCR4ALDH1A1ACHEROCK2

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 DPP4 1842/4885CCR4 6/4885ALDH1A1 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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