SCHEMBL4309199

SCHEMBL4309199

CN1CCOCC1CN1CCN(c2nc3c(c(NCc4ccc(Cl)cc4Cl)n2)CNCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 7/20 0.40
▸ VCP P55072 5/20 0.39
▸ HRH4 Q9H3N8 6/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ CYP2A13 Q16696 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
SCHEMBL4312534 0.84 VCP (0.37) VCPHTR2C
SCHEMBL4319329 0.84 CCR4 (0.43) CCR4VCPHRH4HTR3A
SCHEMBL4317171 0.84 VCP (0.39) CCR4VCPHRH4HRH1HTR3A
SCHEMBL4318597 0.84 VCP (0.39) CCR4VCPHRH4HRH1HTR3A
SCHEMBL4321997 0.84 VCP (0.39) CCR4VCPHRH4HRH1HTR3A
SCHEMBL4318353 0.83 CCR4 (0.43) CCR4VCPHRH4HTR3A
SCHEMBL4315625 0.82 VCP (0.40) CCR4VCPHRH4
SCHEMBL4315624 0.82 VCP (0.40) CCR4VCPHRH4
SCHEMBL4319179 0.81 CCR4 (0.42) CCR4VCPHRH4HTR3A
SCHEMBL4458784 0.78 EPHX2 (0.48) CCR4

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 6/4885VCP 4825/4885HRH4 42/4885

“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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