SCHEMBL981006

SCHEMBL981006

COc1cncc(-c2cccc(N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.57
CYP11B2 P19099 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
MKNK1 Q9BUB5 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
MEN1 O00255 1/20 0.54
PSIP1 O75475 1/20 0.54
AXL P30530 1/20 0.54
KIT P10721 3/20 0.52
BACE1 P56817 2/20 0.52
CHRNB1 P11230 1/20 0.52
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNB3 Q05901 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50

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
SCHEMBL29441703 0.82 CYP3A4 (0.76) CYP3A4CYP1A2CYP2C9MEN1KIT
SCHEMBL3091866 0.82 CYP3A4 (0.76) CYP3A4CYP1A2CYP2C9MEN1KIT
SCHEMBL4581721 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL21044298 0.81 MKNK1 (0.64) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL12302844 0.80 CYP11B1 (0.65) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL12108683 0.80 CYP11B1 (0.65) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL27503998 0.80 MKNK1 (0.47) CYP11B1CYP11B2CYP3A4MKNK1MKNK2
SCHEMBL29431754 0.80 CYP11B1 (0.57) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL20470430 0.80 CYP11B2 (0.57) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL4581716 0.80 CYP11B1 (0.57) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9

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-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CYP11B1 4013/4885CYP11B2 4399/4885CYP3A4 1573/4885

“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.