SCHEMBL2693710

SCHEMBL2693710

CC(C)c1nn(-c2ccc(C#N)c(Br)c2)c2nccc(-c3cnn(Cc4ccccc4)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.44
CREBBP Q92793 2/20 0.37
PIK3CD O00329 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
SCHEMBL2694253 0.83 HSP90AA1 (0.56) HSP90AA1
SCHEMBL2694255 0.83 HSP90AA1 (0.56) HSP90AA1
SCHEMBL2695153 0.81 HSP90AA1 (0.53) HSP90AA1
SCHEMBL2693815 0.81 HSP90AA1 (0.42) HSP90AA1
SCHEMBL2695165 0.80 HSP90AA1 (0.63) HSP90AA1
SCHEMBL2693279 0.78 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2694022 0.78 LRRK2 (0.44) HSP90AA1
SCHEMBL2697002 0.77 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2697034 0.77 LRRK2 (0.36) HSP90AA1
SCHEMBL2694624 0.77 HSP90AA1 (0.55) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 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 (2 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885CREBBP 1049/4885PIK3CD 1850/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885CREBBP 1049/4885PIK3CD 1850/4885

“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.