SCHEMBL12416150

SCHEMBL12416150

CC(C)(C)C(=O)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PIK3CD O00329 6/20 0.39
PIK3CA P42336 5/20 0.39
PIK3CB P42338 5/20 0.39
PIK3CG P48736 5/20 0.39
RXFP1 Q9HBX9 2/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12507607 0.85 POLB (0.48) POLBCYP2C19L3MBTL1SMN1; SMN2PIK3CD
SCHEMBL10025301 0.81 CYP2C19 (0.39) POLBCYP2C19L3MBTL1SMN1; SMN2PIK3CD
SCHEMBL8278732 0.78 POLB (0.46) POLBCYP2C19L3MBTL1SMN1; SMN2PIK3CD
SCHEMBL12416120 0.77 CHRM2 (0.41)
SCHEMBL14283018 0.76 PIK3CD (0.45) POLBCYP2C19PIK3CDPIK3CAPIK3CB
SCHEMBL10304516 0.76 PIK3CD (0.45) POLBCYP2C19PIK3CDPIK3CAPIK3CB
SCHEMBL12507593 0.76 L3MBTL1 (0.40) POLBCYP2C19L3MBTL1SMN1; SMN2RXFP1
SCHEMBL12416119 0.76 ALDH1A1 (0.41) POLBL3MBTL1ALDH1A1RAB9A
SCHEMBL10304592 0.75 PIK3CD (0.47) POLBCYP2C19L3MBTL1PIK3CDPIK3CA
SCHEMBL14283026 0.75 PIK3CD (0.47) POLBCYP2C19L3MBTL1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 US disclosed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 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 (4 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-20110171175-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 POLB 4056/4885CYP2C19 1185/4885L3MBTL1 2511/4885
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 POLB 4056/4885CYP2C19 1185/4885L3MBTL1 2511/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 POLB 4056/4885CYP2C19 1185/4885L3MBTL1 2511/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 POLB 4042/4885CYP2C19 1215/4885L3MBTL1 2427/4885

“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.