SCHEMBL1120579

SCHEMBL1120579

CCOC(=O)CN(N)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TBXAS1 P24557 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL13538818 0.84 TBXAS1 (0.49) NOTUMTSHRNPSR1ALDH1A1TBXAS1
SCHEMBL9430458 0.82 SMN1; SMN2 (0.54) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL27828377 0.78 TBXAS1 (0.51) ALDH1A1TBXAS1LMNAPOLBHTT
SCHEMBL4832575 0.78 SMN1; SMN2 (0.42) NOTUMTSHRNPSR1ALDH1A1TBXAS1
SCHEMBL1120517 0.77 ALDH1A1 (0.43) ALDH1A1LMNAPOLBHTTMEN1
SCHEMBL1120544 0.75 RAB9A (0.44) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL27921411 0.75 NOTUM (0.58) NOTUMTSHRNPSR1ALDH1A1LMNA
SCHEMBL1120687 0.74 MAPT (0.48) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL4670467 0.74 HTT (0.54) NOTUMTSHRNPSR1ALDH1A1HTT
SCHEMBL30038114 0.73 HTT (0.50) TSHRNPSR1ALDH1A1TBXAS1LMNA

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 13 patents. 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-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
CN-102083830-B Pyrido [3,4-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2014-11-12 CN disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
CN-102083830-A Pyrido [3,4-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2011-06-01 CN disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NOTUM 3109/4885TSHR 847/4885NPSR1 115/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NOTUM 3109/4885TSHR 847/4885NPSR1 115/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NOTUM 3109/4885TSHR 847/4885NPSR1 115/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NOTUM 3109/4885TSHR 847/4885NPSR1 115/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 NOTUM 2974/4885TSHR 779/4885NPSR1 112/4885

“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.