SCHEMBL4875671

SCHEMBL4875671

Cc1cccc(C)c1-n1cc(C(=NOC2CCN(CCN(C)C)CC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.40
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
HSD11B1 P28845 1/20 0.32
PARP1 P09874 1/20 0.31
CCR5 P51681 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
KMT2A Q03164 1/20 0.31
BCHE P06276 1/20 0.30
PLD2 O14939 1/20 0.30
PLD1 Q13393 1/20 0.30
LSS P48449 1/20 0.30

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
SCHEMBL4875669 1.00 ACKR3 (0.40) ACKR3MAPK13MAPK12MAPK11MAPK14
SCHEMBL4876865 0.92 ACKR3 (0.39) ACKR3MAPK13MAPK12MAPK11MAPK14
SCHEMBL4876860 0.92 ACKR3 (0.39) ACKR3MAPK13MAPK12MAPK11MAPK14
SCHEMBL4869395 0.90 L3MBTL1 (0.35) MAPK14HSD11B1KMT2A
SCHEMBL4872678 0.90 L3MBTL1 (0.35) MAPK14HSD11B1KMT2A
SCHEMBL4869399 0.90 L3MBTL1 (0.35) MAPK14HSD11B1KMT2A
SCHEMBL4875287 0.89 KMT2A (0.40) ACKR3MAPK13MAPK12MAPK11MAPK14
SCHEMBL4875278 0.89 KMT2A (0.40) ACKR3MAPK13MAPK12MAPK11MAPK14
SCHEMBL4875575 0.85 HRH3 (0.41) ACKR3MAPK13MAPK12MAPK11MAPK14
SCHEMBL4877401 0.85 HRH3 (0.41) ACKR3MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US claimed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 ACKR3 94/4885MAPK13 12/4885MAPK12 28/4885

“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.