SCHEMBL1120729

SCHEMBL1120729

Cc1ccc2[nH]c3c(c2c1)CCN(C)C3C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.60
L3MBTL1 Q9Y468 1/20 0.50
SIRT1 Q96EB6 3/20 0.49
RECQL P46063 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
ACHE P22303 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
GAA P10253 1/20 0.45
CASP6 P55212 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1120637 0.84 KIF11 (0.61) KIF11SIRT1SIRT2MAPKAPK2
SCHEMBL1120594 0.82 KIF11 (0.60) KIF11L3MBTL1SIRT1RECQLSIRT2
SCHEMBL1120736 0.80 KIF11 (0.77) KIF11
SCHEMBL26837002 0.78 L3MBTL1 (0.54) KIF11L3MBTL1SIRT2ACHEGRIN1
SCHEMBL12480504 0.77 L3MBTL1 (0.53) KIF11L3MBTL1SIRT2ACHEGRIN1
SCHEMBL19199233 0.76 MAOA (0.47) MAPKAPK2GAAALDH1A1
SCHEMBL30363056 0.74 SIRT1 (0.52) KIF11L3MBTL1SIRT1RECQLSIRT2
SCHEMBL30363094 0.74 SIRT1 (0.52) KIF11L3MBTL1SIRT1RECQLSIRT2
SCHEMBL14363779 0.74 KIF11 (0.46) KIF11L3MBTL1SIRT1RECQLSIRT2
SCHEMBL15101410 0.74 SIRT1 (0.65) KIF11SIRT1RECQLSIRT2GAA

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 16 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
US-8785449-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-22 US 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-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-05-30 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 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
EP-2480079-A1 PYRIDO(3,4-B)INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-08-01 EP disclosed
WO-2011038162-A1 PYRIDO(3,4-B)INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO 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
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 (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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885L3MBTL1 4349/4885SIRT1 3213/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885L3MBTL1 4349/4885SIRT1 3213/4885
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KIF11 3164/4885L3MBTL1 4419/4885SIRT1 3159/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885L3MBTL1 4349/4885SIRT1 3213/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885L3MBTL1 4349/4885SIRT1 3213/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KIF11 3055/4885L3MBTL1 4351/4885SIRT1 3189/4885
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885L3MBTL1 4349/4885SIRT1 3213/4885

“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.