SCHEMBL4110214

SCHEMBL4110214

OC1CCC(N2CC[C@H](Nc3nccc(N4CCCCCC4)n3)[C@H]2CCCN2CCCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.42
▸ MAPK8 P45983 5/20 0.41
▸ HRH4 Q9H3N8 7/20 0.40
▸ JAK2 O60674 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ MAPK9 P45984 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 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
SCHEMBL4110212 1.00 CXCR4 (0.42) CXCR4MAPK8HRH4JAK2FLT3
SCHEMBL4103950 0.93 HRH4 (0.45) CXCR4MAPK8HRH4JAK2FLT3
SCHEMBL2010314 0.93 HRH4 (0.45) CXCR4MAPK8HRH4JAK2FLT3
SCHEMBL2014636 0.93 HRH4 (0.45) CXCR4MAPK8HRH4JAK2FLT3
SCHEMBL4108575 0.93 HRH4 (0.45) CXCR4MAPK8HRH4JAK2FLT3
SCHEMBL2010406 0.93 HRH4 (0.45) CXCR4MAPK8HRH4JAK2FLT3
SCHEMBL4105627 0.93 HRH4 (0.45) CXCR4MAPK8HRH4JAK2FLT3
SCHEMBL4105351 0.90 CXCR4 (0.47) CXCR4MAPK8HRH4FLT3MAPK9
SCHEMBL14391723 0.90 CXCR4 (0.47) CXCR4MAPK8HRH4FLT3MAPK9
SCHEMBL2007560 0.90 CXCR4 (0.47) CXCR4MAPK8HRH4FLT3MAPK9

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 CXCR4 1/4885MAPK8 1761/4885HRH4 152/4885

“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.

Send feedback