SCHEMBL2233981

SCHEMBL2233981

O=C1C=CC=C2c3ccccc3NC12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.37
TNKS2 Q9H2K2 6/20 0.36
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 4/20 0.33
GAA P10253 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDGFRA P16234 1/20 0.33
FER P16591 1/20 0.33
LTK P29376 1/20 0.33
CDK8 P49336 1/20 0.33
ACVR1 Q04771 1/20 0.33
LRRK2 Q5S007 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 2/20 0.33
TTK P33981 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL20159058 0.70 TSHR (0.36) TSHRLMNATNKS2ALDH1A1HSD17B10
SCHEMBL6688204 0.67 MAPT (0.45) LMNAALDH1A1HPGDGAAMAOA
SCHEMBL5891203 0.66 TTK (0.36) TSHRLMNATNKS2TTKMAPK8
SCHEMBL17146543 0.66 KDM4E (0.33) TSHRLMNATNKS2ALDH1A1HSD17B10
SCHEMBL3274379 0.64 MAPT (0.42) TSHRLMNAALDH1A1HPGDGAA
SCHEMBL441520 0.64 TSHR (0.37) TSHRLMNATNKS2ALDH1A1HSD17B10
SCHEMBL4619988 0.63 CYP19A1 (0.37) TSHRALDH1A1HSD17B10MAOBKDM4E
SCHEMBL13346283 0.63 IDO1 (0.36) LMNAALDH1A1HSD17B10HPGDMAOA
SCHEMBL7905020 0.63 MAPT (0.31) TSHRHPGDMAOAMAOBSMN1; SMN2
SCHEMBL14785765 0.62 TNKS2 (0.53) TSHRLMNATNKS2ALDH1A1HSD17B10

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-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2016-02-04 US disclosed
US-9199985-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9187471-B2 Pyrido [4,3-b] indole and pyrido [3,4-b] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-17 US disclosed
US-9040519-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-26 US disclosed
US-9034865-B2 Pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-02 US disclosed
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
US-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-25 US disclosed
US-20130172320-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2012112962-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
WO-2012112963-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
WO-2011103487-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103460-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103430-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103485-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103433-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 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 (7 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-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C TSHR 1908/4885LMNA 3914/4885TNKS2 1415/4885
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 TSHR 269/4885LMNA 2768/4885TNKS2 3395/4885
US-20130172320-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 2279/4885LMNA 3987/4885TNKS2 2116/4885
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C TSHR 1959/4885LMNA 4148/4885TNKS2 1295/4885
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2C, ADRA2B TSHR 91/4885LMNA 3858/4885TNKS2 1777/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 2279/4885LMNA 3987/4885TNKS2 2116/4885
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C TSHR 1908/4885LMNA 3914/4885TNKS2 1415/4885

“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.