SCHEMBL1338489

SCHEMBL1338489

CCc1ncc(C#N)c2c1CC(C)(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ CACNA1H O95180 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ LIMK1 P53667 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ XBP1 P17861 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
SCHEMBL13263726 0.88 LIMK1 (0.30) LIMK1
SCHEMBL27846918 0.79 ALDH1A1 (0.36) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL1338574 0.79 LIMK1 (0.40) MAPK1KDM4EALDH1A1HTTLIMK1
SCHEMBL1338519 0.77 CHUK (0.32) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL28793921 0.77 MAPK1 (0.32) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL1338496 0.77 MAPK1 (0.32) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL27687020 0.76 ALDH1A1 (0.36) MAPK1KDM4EALDH1A1LIMK1
SCHEMBL1338345 0.75 MAPK1 (0.33) MAPK1KDM4EALDH1A1
SCHEMBL1338515 0.74 GABRP (0.37) CACNA1HLIMK1
SCHEMBL1338636 0.71 HTT (0.65) KDM4EALDH1A1GLAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102282144-A Oxadiazole derivatives as sphingosine-1-phosphate 1 receptor agonists — 2011-12-14 — — CN disclosed
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 — — EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 — — US disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 — — EP disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 — — EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 — — 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-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 MAPK1 1697/4885CACNA1H 1141/4885KDM4E 4115/4885

“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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