SCHEMBL981889

SCHEMBL981889

Cn1ccc2cc(-c3cccc(N)c3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.66
HSD11B1 P28845 1/20 0.54
LRRK2 Q5S007 2/20 0.47
MAOA P21397 1/20 0.46
PIK3CB P42338 2/20 0.44
CYP2A6 P11509 1/20 0.44
FAAH O00519 5/20 0.43
ABL1 P00519 2/20 0.42
SRC P12931 2/20 0.42
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 1/20 0.42
AR P10275 1/20 0.42
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
EPHB4 P54760 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL16979094 0.88 PRKCI (0.55) PRKCIHSD11B1LRRK2PIK3CBCYP2A6
SCHEMBL30241674 0.82 HSD11B1 (0.69) PRKCIHSD11B1LRRK2CYP2A6FAAH
SCHEMBL5256926 0.82 HSD11B1 (0.69) PRKCIHSD11B1LRRK2CYP2A6FAAH
SCHEMBL11961043 0.81 HSD11B1 (0.63) PRKCIHSD11B1LRRK2CYP2A6FAAH
SCHEMBL721707 0.80 PRKCI (1.00) PRKCIHSD11B1LRRK2PIK3CBCYP2A6
SCHEMBL30006940 0.80 PRKCI (1.00) PRKCIHSD11B1LRRK2PIK3CBCYP2A6
SCHEMBL3348340 0.80 PRKCI (0.56) PRKCIHSD11B1LRRK2PIK3CBFAAH
Hydrochloric Acid SCHEMBL14909693 0.78 PRKCI (0.54) PRKCIHSD11B1LRRK2PIK3CBFAAH
Hydrochloric Acid SCHEMBL7350283 0.78 PRKCI (0.96) PRKCIHSD11B1LRRK2PIK3CBCYP2A6
SCHEMBL25094099 0.78 HSD11B1 (0.51) PRKCIHSD11B1LRRK2CYP2A6FAAH

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 5 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
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN 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 PRKCI 1406/4885HSD11B1 4637/4885LRRK2 1604/4885

“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.