SCHEMBL216072

SCHEMBL216072

CN1CCc2cc(N)ccc2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.41
DRD1 P21728 4/20 0.39
DRD2 P14416 4/20 0.39
DRD5 P21918 3/20 0.39
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
NR1H2 P55055 2/20 0.38
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
RAD52 P43351 1/20 0.37
ADRA2C P18825 2/20 0.36
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
PTK2B Q14289 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL1953079 0.89 DRD1 (0.39) DRD1DRD2DRD5HTR1AHTR2A
SCHEMBL1953015 0.84 DRD1 (0.41) ATAD2DRD1DRD2DRD5HTR1A
SCHEMBL1950822 0.84 MAPT (0.35) ATAD2DRD1DRD2DRD5NR1H2
SCHEMBL1953116 0.83 ATAD2 (0.43) ATAD2DRD1DRD2HTR1AHTR2A
SCHEMBL12549778 0.83 NR1H2 (0.36) ATAD2DRD1DRD2DRD5HTR1A
Hydrochloric Acid SCHEMBL1950162 0.82 NR1H2 (0.35) ATAD2DRD1DRD2DRD5HTR1A
SCHEMBL1953245 0.81 DRD2 (0.35) ATAD2DRD1DRD2DRD5HTR1A
SCHEMBL25324704 0.80 DRD2 (0.58) DRD1DRD2DRD5DRD3ESR2
SCHEMBL12549158 0.80 PARP1 (0.43) DRD1DRD2DRD5DRD3ALDH1A1
SCHEMBL1951376 0.79 ATAD2 (0.39) ATAD2DRD1DRD2DRD5HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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 (3 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ATAD2 2616/4885DRD1 4058/4885DRD2 4537/4885
US-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK ATAD2 857/4885DRD1 2577/4885DRD2 3153/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK ATAD2 1409/4885DRD1 3360/4885DRD2 4041/4885

“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.