SCHEMBL1710469

SCHEMBL1710469

CC(C)(CBr)COC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BTN3A1 O00481 3/20 0.33
SERPINE1 P05121 1/20 0.32
ELANE P08246 1/20 0.31
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1710583 0.92 PRKCA (0.38) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL5445288 0.85 PRKCA (0.43) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL1204159 0.79 ALDH1A1 (0.40) GAASERPINE1TRPA1ALDH1A1
SCHEMBL9348634 0.79 PRKCA (0.44) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL13686650 0.79 PRKCA (0.39) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL5493183 0.78
SCHEMBL24883882 0.77 PRKCA (0.38) PRKCAPOLBGAANPSR1SERPINE1
SCHEMBL6879319 0.77 ALDH1A1 (0.39) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL12571028 0.77 PRKCA (0.38) PRKCAPOLBGAANPSR1SERPINE1
SCHEMBL24877573 0.76 PRKCA (0.37) PRKCAPOLBGAANPSR1SERPINE1

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
CN-102245593-A Isoquinolinone derivatives ASTRAZENECA AB 2011-11-16 CN disclosed
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 PRKCA 2939/4885POLB 1234/4885GAA 876/4885

“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.