SCHEMBL4326289

SCHEMBL4326289

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2J2 P51589 1/20 0.38
▸ PRLHR P49683 2/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ CCR4 P51679 1/20 0.37

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
SCHEMBL4318674 0.88 EPHX2 (0.45) EPHX2MAPK1CCR4
SCHEMBL4318911 0.86 ALDH1A1 (0.48) EPHX2HPGDNPSR1MAPK1PDE10A
SCHEMBL4317791 0.81 ALDH1A1 (0.47) EPHX2HPGDNPSR1MAPK1
SCHEMBL6226468 0.80 CCR4 (0.39) EPHX2HPGDNPSR1MAPK1P2RX7
SCHEMBL4325799 0.79 GPR6 (0.43) P2RX7
SCHEMBL4311781 0.77 MTOR (0.41) —
Hydrochloric Acid SCHEMBL4327474 0.74 HTR2B (0.42) HPGDNPSR1P2RX7CCR4
SCHEMBL4321806 0.73 ALDH1A1 (0.45) EPHX2CCR4
SCHEMBL4312591 0.73 CCR4 (0.46) EPHX2NPSR1CCR4
SCHEMBL3640114 0.73 CLPP (0.43) NPSR1MAPK1P2RX7

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-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

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 4462/4885HPGD 4442/4885NPSR1 922/4885

“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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