SCHEMBL14511640

SCHEMBL14511640

Cc1nc(CN2CCOCC2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK13 O15264 2/20 0.43
▸ MAPK12 P53778 2/20 0.43
▸ MAPK11 Q15759 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ SLC2A3 P11169 1/20 0.42
▸ SLC2A4 P14672 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL14511644 0.83 HSD17B10 (0.46) ALOX5ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL14511652 0.73 ALOX5 (0.42) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL14511648 0.73 CFTR (0.43) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL14511635 0.72 RAB9A (0.50) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL28128764 0.70 SLC2A1 (0.54) ALOX5ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL14511645 0.69 TRPV3 (0.40) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL5082464 0.68 ALOX5 (1.00) ALOX5ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL10085217 0.67 HRH3 (0.71) ALOX5ALDH1A1MAPTRAB9ALMNA
SCHEMBL18805034 0.67 HRH3 (0.71) ALOX5ALDH1A1MAPTRAB9ALMNA
SCHEMBL5371873 0.66 KDM4E (0.67) ALOX5ALDH1A1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 ALOX5 3091/4885ALDH1A1 1875/4885MAPK13 586/4885

“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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