SCHEMBL2494026

SCHEMBL2494026

CC1(C)OCC(COc2cc(Cl)c(C#N)cc2Cl)O1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
MAOB P27338 1/20 0.37
MAPK14 Q16539 6/20 0.35
P2RX3 P56373 3/20 0.35
EGFR P00533 4/20 0.35
F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL2494022 1.00 CA2 (0.38) CA2KCNJ5KCNJ3MAOBMAPK14
SCHEMBL2503804 0.82 CA2 (0.40) CA2KCNJ5KCNJ3MAPK14P2RX3
SCHEMBL2503801 0.82 CA2 (0.40) CA2KCNJ5KCNJ3MAPK14P2RX3
SCHEMBL13303952 0.79 CA2 (0.37) CA2KCNJ5KCNJ3MAPK14P2RX3
SCHEMBL10817266 0.78 ALDH1A1 (0.43) CA2MAPK14
SCHEMBL10815263 0.78 ALDH1A1 (0.43) CA2MAPK14
SCHEMBL10815255 0.78 ALDH1A1 (0.43) CA2MAPK14
SCHEMBL9685952 0.77 CA2 (0.40) CA2KCNJ5KCNJ3MAPK14
SCHEMBL12519657 0.76 CA2 (0.42) CA2KCNJ5KCNJ3MAPK14P2RX3
SCHEMBL3340226 0.75 KCNJ5 (0.36) CA2KCNJ5KCNJ3MAPK14P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 EP disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 CA2 3515/4885KCNJ5 403/4885KCNJ3 449/4885

“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.