SCHEMBL2010379

SCHEMBL2010379

CCN(CC)CCCC1C(Nc2nccc(N3CCCCCC3)n2)CCN1[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.39
▸ CXCR4 P61073 2/20 0.38
▸ HRH4 Q9H3N8 7/20 0.38
▸ MERTK Q12866 5/20 0.35
▸ FLT3 P36888 4/20 0.35
▸ TYRO3 Q06418 4/20 0.35
▸ GAS6 Q14393 4/20 0.35
▸ MKNK1 Q9BUB5 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ MAPK9 P45984 1/20 0.34

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
SCHEMBL2010380 1.00 MAPK8 (0.39) MAPK8CXCR4HRH4MERTKFLT3
SCHEMBL14391724 1.00 MAPK8 (0.39) MAPK8CXCR4HRH4MERTKFLT3
SCHEMBL4105318 1.00 MAPK8 (0.39) MAPK8CXCR4HRH4MERTKFLT3
SCHEMBL4105313 1.00 MAPK8 (0.39) MAPK8CXCR4HRH4MERTKFLT3
SCHEMBL2009234 0.93 HRH4 (0.42) MAPK8CXCR4HRH4MAPK9
SCHEMBL4103622 0.93 HRH4 (0.42) MAPK8CXCR4HRH4MAPK9
SCHEMBL4109961 0.87 HRH4 (0.41) MAPK8CXCR4HRH4MAPK9
SCHEMBL2013091 0.87 HRH4 (0.41) MAPK8CXCR4HRH4MAPK9
SCHEMBL4105357 0.87 CXCR4 (0.47) MAPK8CXCR4HRH4MERTKFLT3
SCHEMBL2007558 0.87 CXCR4 (0.47) MAPK8CXCR4HRH4MERTKFLT3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 — — US claimed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — EP claimed
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE ALLERGAN, INC. 2007-08-30 — — US claimed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-7964191-B2 Compositions and methods for the treatment of ophthalmic disease ALLERGAN, INC. (US) 2011-06-21 — — 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
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE ALLERGAN, INC. 2007-08-30 — — 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 (2 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 MAPK8 1761/4885CXCR4 1/4885HRH4 152/4885
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE CXCL12, CXCR4, PDE6C MAPK8 3375/4885CXCR4 2/4885HRH4 2600/4885

“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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