SCHEMBL7847670

SCHEMBL7847670

CN1CCN(CCCNc2cc(-c3c[nH]nc3-c3ccc(F)cc3)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
ADRA1A P35348 3/20 0.46
DRD3 P35462 3/20 0.46
FGFR1 P11362 4/20 0.44
KDR P35968 3/20 0.44
MAPK14 Q16539 7/20 0.42
HRH4 Q9H3N8 1/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CXCR1 P25024 1/20 0.40
BACE1 P56817 1/20 0.40
SRC P12931 1/20 0.39
TP53 P04637 1/20 0.39

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
Fumaric Acid SCHEMBL5833457 0.92 DRD2 (0.42) DRD2ADRA1ADRD3FGFR1KDR
SCHEMBL5447721 0.85 MAP4K4 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5441981 0.83 NPC1 (0.52) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5452518 0.83 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5453641 0.82 KDM4E (0.45) MAPK14ALDH1A1
SCHEMBL14521999 0.80 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5454886 0.80 TDO2 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5463476 0.79 SIGMAR1 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5446166 0.79 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5456376 0.78 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11

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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 DRD2 1653/4885ADRA1A 731/4885DRD3 954/4885

“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.