SCHEMBL3787958

SCHEMBL3787958

CC(C)(C)OC(=O)NC(CN)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RECQL P46063 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
AKT1 P31749 3/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.44
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CTSS P25774 5/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
CTSK P43235 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 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
SCHEMBL13029668 0.90 CA12 (0.42) CA12CA1CA7CA14RECQL
SCHEMBL8292151 0.87 CA12 (0.49) CA12CA1CA7CA14RECQL
SCHEMBL14199162 0.85 CA12 (0.48) CA12CA1CA7CA14RECQL
SCHEMBL27903264 0.83 CA12 (0.51) CA12CA1CA7CA14RECQL
SCHEMBL27903266 0.83 CA12 (0.51) CA12CA1CA7CA14RECQL
SCHEMBL27903265 0.83 CA12 (0.51) CA12CA1CA7CA14RECQL
SCHEMBL5969582 0.82 CA12 (0.50) CA12CA1CA7CA14RECQL
SCHEMBL14266632 0.81 ALDH1A1 (0.58) CA12CA1CA7CA14RECQL
SCHEMBL2346109 0.81 CA12 (0.44) CA12CA1CA7CA14RECQL
SCHEMBL2346101 0.81 CA12 (0.44) CA12CA1CA7CA14RECQL

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-7655662-B2 (Indazol-5-yl)-pyrazines and (1,3-dihydro-indol-2-one)-pyrazines for treating glaucoma and controlling intraocular pressure ALCON RESEARCH, LTD. (US) 2010-02-02 US disclosed
EP-1962853-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)- PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS Alcon Research, Ltd. (US) 2008-09-03 EP disclosed
WO-2007076360-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)- PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON RESEARCH, LTD. (US) 2007-07-05 WO disclosed
US-20070149548-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)-PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2007-06-28 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 (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-20070149548-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)-PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK1, ROCK2, CIT CA12 4829/4885CA1 4846/4885CA7 3863/4885

“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.