SCHEMBL4116178

SCHEMBL4116178

O=C(C1CCCCC1)N1CCN(CCC[C@@H]2[C@@H](Nc3nccc(N4CCCCCC4)n3)CCN2C2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.41
▸ MAPK8 P45983 3/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ CXCR4 P61073 2/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ IDH1 O75874 1/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR7 Q9NYK1 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
SCHEMBL4108991 0.91 MAPK8 (0.41) CCR4MAPK8CXCR4HRH4JAK2
SCHEMBL4105627 0.90 HRH4 (0.45) MAPK8MAPK9CXCR4HRH4JAK2
SCHEMBL4108575 0.90 HRH4 (0.45) MAPK8MAPK9CXCR4HRH4JAK2
SCHEMBL2014636 0.90 HRH4 (0.45) MAPK8MAPK9CXCR4HRH4JAK2
SCHEMBL4103950 0.90 HRH4 (0.45) MAPK8MAPK9CXCR4HRH4JAK2
SCHEMBL2010406 0.90 HRH4 (0.45) MAPK8MAPK9CXCR4HRH4JAK2
SCHEMBL2010314 0.90 HRH4 (0.45) MAPK8MAPK9CXCR4HRH4JAK2
SCHEMBL4110035 0.89 CXCR4 (0.42) CCR4MAPK8MAPK9MAPK10CXCR4
SCHEMBL2011571 0.89 CXCR4 (0.42) CCR4MAPK8MAPK9MAPK10CXCR4
SCHEMBL4110231 0.89 CXCR4 (0.42) CCR4MAPK8MAPK9MAPK10CXCR4

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-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — 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-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF CXCR4, CXCR1, CXCL12 CCR4 20/4885MAPK8 1761/4885MAPK9 907/4885

“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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