SCHEMBL1120761

SCHEMBL1120761

CNCCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
MPO P05164 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP2D6 P10635 1/20 0.68
HTR2C P28335 1/20 0.68
MTNR1A P48039 1/20 0.68
MTNR1B P49286 1/20 0.68
GPR84 Q9NQS5 1/20 0.68
HTR2A P28223 4/20 0.65
HTR1A P08908 2/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
TRPM8 Q7Z2W7 1/20 0.65
TSHR P16473 1/20 0.64
ALDH1A1 P00352 2/20 0.62
HTT P42858 1/20 0.62
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61

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
SCHEMBL1120499 0.88 CHRNB2 (0.68) KDM4EMPOMEN1KMT2ACYP2D6
SCHEMBL9612263 0.86 HTR2A (0.67) MEN1KMT2AHTR2CMTNR1AMTNR1B
SCHEMBL15791145 0.84 HTR2A (0.69) MEN1KMT2AHTR2CMTNR1AMTNR1B
SCHEMBL31415117 0.84 GPR84 (0.72) HTR2CMTNR1AMTNR1BGPR84HTR2A
SCHEMBL25004737 0.84 MTNR1A (0.64) MEN1KMT2AHTR2CMTNR1AMTNR1B
SCHEMBL4303662 0.83 KDM4E (0.70) KDM4EMPOMEN1KMT2ACYP2D6
Iodide SCHEMBL26662755 0.82 MTNR1A (0.62) MEN1KMT2AHTR2CMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL26662832 0.82 MTNR1A (0.62) MEN1KMT2AHTR2CMTNR1AMTNR1B
Iodide SCHEMBL30672189 0.82 MTNR1A (0.62) MEN1KMT2AHTR2CMTNR1AMTNR1B
SCHEMBL12464834 0.82 HTR2A (0.71) MPOMEN1KMT2AHTR2CMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
CN-104387382-A PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC 2015-03-04 CN disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
WO-2009132921-A1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2009-11-05 WO disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 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 (4 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-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 KDM4E 445/4885MPO 1308/4885MEN1 2898/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885MPO 3866/4885MEN1 3074/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885MPO 3866/4885MEN1 3074/4885
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK KDM4E 853/4885MPO 3818/4885MEN1 4674/4885

“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.