SCHEMBL1948812

SCHEMBL1948812

Nc1ccc2c(c1)CN(CCO)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 1/20 0.41
ABCB1 P08183 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
PNMT P11086 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL7509547 0.98 NR1H2 (0.44) NR1H2DRD2DRD3SIGMAR1ABCB1
SCHEMBL1953020 0.94 DRD2 (0.46) NR1H2DRD2DRD3SIGMAR1ABCB1
SCHEMBL1951222 0.90 DRD2 (0.51) NR1H2DRD2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7550246 0.89 BRD4 (0.41) NR1H2DRD2DRD3SIGMAR1ABCB1
SCHEMBL6293957 0.84 DRD2 (0.52) NR1H2DRD2DRD3SIGMAR1ABCB1
SCHEMBL31214402 0.84 DRD2 (0.52) NR1H2DRD2DRD3SIGMAR1ABCB1
Hydrochloric Acid SCHEMBL7817924 0.83 DRD2 (0.51) NR1H2DRD2DRD3SIGMAR1ABCB1
SCHEMBL1950828 0.81 NR1H2 (0.49) NR1H2DRD2DRD3ABCB1ABCG2
SCHEMBL13453039 0.81 MEN1 (0.47) DRD2DRD3SIGMAR1KDM4E
SCHEMBL1951288 0.80 ABCB1 (0.45) NR1H2DRD2DRD3ABCB1ABCG2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US claimed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO claimed
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-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
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
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 NR1H2 1408/4885DRD2 4190/4885DRD3 4131/4885
US-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK NR1H2 1731/4885DRD2 3153/4885DRD3 2796/4885

“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.