SCHEMBL2693285

SCHEMBL2693285

COc1cncc(-c2ccnc3[nH]nc(C(C)C)c23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
CLK1 P49759 3/20 0.39
DYRK1A Q13627 3/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
LRRK2 Q5S007 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CYP17A1 P05093 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37

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
SCHEMBL2694498 0.80 NUDT1 (0.47) HSP90AA1CLK1DYRK1AFYN
SCHEMBL2695084 0.78 FYN (0.50) HSP90AA1MAPTSLC22A12FYNSYK
SCHEMBL2695036 0.78 FYN (0.38) DYRK1AMEN1GAAMAPTKMT2A
SCHEMBL2693833 0.72 HSP90AA1 (0.46) HSP90AA1CYP11B2GAACDK2
SCHEMBL2692474 0.71 HSP90AA1 (0.46) HSP90AA1
SCHEMBL2696542 0.71 GLO1 (0.35) HSP90AA1
SCHEMBL12127590 0.71 BRD4 (0.60) CLK1DYRK1ALRRK2
SCHEMBL2693953 0.71 LRRK2 (0.48) LRRK2CYP3A4CYP2C9CCNE1CDK2
SCHEMBL2692816 0.70 FYN (0.48) HSP90AA1MEN1MAPTKMT2ACYP1A2
SCHEMBL2696017 0.68 CCNC (0.40) HSP90AA1LRRK2

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 3/4885CYP11B1 334/4885CYP11B2 615/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885CYP11B1 334/4885CYP11B2 615/4885

“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.