SCHEMBL472560

SCHEMBL472560

Cc1ncoc1-c1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.46
IMPDH1 P20839 1/20 0.46
MTOR P42345 10/20 0.40
PIK3CA P42336 9/20 0.40
GPR119 Q8TDV5 1/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CG P48736 3/20 0.34
PIK3CB P42338 2/20 0.33
JAK3 P52333 2/20 0.33
PIK3C2A O00443 1/20 0.33
PIK3C2B O00750 1/20 0.33
CHEK1 O14757 1/20 0.33
ABCB11 O95342 1/20 0.33
CSF1R P07333 1/20 0.33
MET P08581 1/20 0.33
PIK3R1 P27986 1/20 0.33
LTK P29376 1/20 0.33
CDK7 P50613 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33

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
SCHEMBL15929467 0.74 IMPDH2 (0.50) IMPDH2IMPDH1GPR119
SCHEMBL472394 0.73 NR1H4 (0.39) MTORPIK3CAAXLSYKPDE10A
SCHEMBL472411 0.71 GAA (0.49) IMPDH2IMPDH1GPR119
SCHEMBL472419 0.71 IMPDH2 (0.47) IMPDH2IMPDH1GPR119
SCHEMBL3998459 0.71 IMPDH2 (0.50) IMPDH2IMPDH1GPR119
SCHEMBL6168845 0.71 IMPDH2 (0.47) IMPDH2IMPDH1GPR119
SCHEMBL6563317 0.71 KIF11 (0.41) MTORPIK3CAPIK3CDPIK3CGJAK3
SCHEMBL343219 0.70 ADORA2A (0.50) IMPDH2IMPDH1
SCHEMBL472791 0.68 GSK3B (0.46) IMPDH2IMPDH1CLK4
SCHEMBL307338 0.67 TSHR (0.52) MTORPIK3CAPIK3CDPIK3CGATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 IMPDH2 4461/4885IMPDH1 4147/4885MTOR 1909/4885

“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.