SCHEMBL14519484

SCHEMBL14519484

Fc1ccc(-c2n[nH]c(NCCCN3CCOCC3)c2-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.53
MAPK11 Q15759 12/20 0.53
MAPK13 O15264 10/20 0.53
MAPK12 P53778 10/20 0.53
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5 P09917 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL14411208 0.94 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12KDM4E
SCHEMBL5443213 0.83 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12TSHR
SCHEMBL14411212 0.77 ALOX5 (0.47) MAPK14MAPK11MAPK1ALOX5
SCHEMBL14411229 0.77 MAPK13 (0.40) MAPK14MAPK11MAPK13MAPK12TSHR
SCHEMBL5259316 0.76 NPC1 (0.50) MAPK14MAPK11MAPK13MAPK12KDM4E
SCHEMBL7210339 0.75 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12TSHR
SCHEMBL14519557 0.75 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12TSHR
SCHEMBL14519570 0.75 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6649751 0.72 CYP2C19 (0.65) TSHRKDM4EALDH1A1HPGDMAPK1
SCHEMBL4585385 0.72 ALOX5 (0.62) MAPK14MAPK11MAPK13MAPK12ALOX5

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 1 patent. 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

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 MAPK14 7/4885MAPK11 42/4885MAPK13 4/4885

“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.