SCHEMBL1120637

SCHEMBL1120637

CC1c2[nH]c3ccc(Cl)cc3c2CCN1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.61
SIRT1 Q96EB6 4/20 0.54
HTR2A P28223 12/20 0.52
HTR2C P28335 12/20 0.52
MAPKAPK2 P49137 1/20 0.51
HTR2B P41595 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47

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
SCHEMBL1120729 0.84 KIF11 (0.60) KIF11SIRT1MAPKAPK2SIRT2
SCHEMBL1120636 0.83 KIF11 (0.60) KIF11SIRT1HTR2AHTR2CHTR2B
SCHEMBL21732153 0.82 KIF11 (0.56) KIF11SIRT1HTR2AHTR2CSIRT2
SCHEMBL3720921 0.78 MCHR1 (0.51) KIF11SIRT1HTR2AHTR2C
SCHEMBL13049423 0.77 KIF11 (0.66) KIF11HTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL7676744 0.77 KIF11 (0.54) KIF11SIRT1MAPKAPK2SIRT2SIRT3
SCHEMBL7680175 0.77 KIF11 (0.54) KIF11SIRT1MAPKAPK2SIRT2SIRT3
SCHEMBL7677808 0.76 SIRT1 (0.55) KIF11SIRT1SIRT2SIRT3
SCHEMBL7852925 0.76 KIF11 (0.53) KIF11SIRT1MAPKAPK2SIRT2SIRT3
SCHEMBL7851681 0.75 SIRT1 (0.54) KIF11SIRT1SIRT2SIRT3

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 14 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-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

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 3101/4885SIRT1 3213/4885HTR2A 12/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885SIRT1 3213/4885HTR2A 12/4885
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KIF11 3164/4885SIRT1 3159/4885HTR2A 12/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885SIRT1 3213/4885HTR2A 12/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885SIRT1 3213/4885HTR2A 12/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KIF11 3055/4885SIRT1 3189/4885HTR2A 12/4885
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KIF11 3101/4885SIRT1 3213/4885HTR2A 12/4885

“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.