SCHEMBL2696017

SCHEMBL2696017

CC(C)c1n[nH]c2nccc(-c3ccc4c(ccn4C)c3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
HSD11B1 P28845 1/20 0.40
SRC P12931 3/20 0.39
ABL1 P00519 2/20 0.39
PIK3CD O00329 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
GRM4 Q14833 1/20 0.38

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
SCHEMBL2692474 0.83 HSP90AA1 (0.46) EGFRPIK3CAMTORHSP90AA1
SCHEMBL2695036 0.73 FYN (0.38) KDRPIK3CALRRK2
SCHEMBL2696542 0.72 GLO1 (0.35) HSP90AA1
SCHEMBL2693266 0.70 BRD4 (0.36) HSP90AA1BRD4CREBBP
SCHEMBL2694498 0.70 NUDT1 (0.47) KDRHSP90AA1HSP90AB1
SCHEMBL2693953 0.69 LRRK2 (0.48) KDRLRRK2
SCHEMBL2695084 0.69 FYN (0.50) PIK3CAMTORHSP90AA1
SCHEMBL27010940 0.68 LRRK2 (0.34) ABL1KDRLRRK2CLK4
SCHEMBL2693285 0.68 HSP90AA1 (0.42) HSP90AA1LRRK2
SCHEMBL1778943 0.67 CCNB2 (0.55) HSD11B1LRRK2FAAH

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 CCNC 51/4885CDK8 1568/4885HSD11B1 336/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 CCNC 51/4885CDK8 1568/4885HSD11B1 336/4885

“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.