SCHEMBL1120643

SCHEMBL1120643

CNCCc1cn(CCc2ccc(C(F)(F)F)nc2)c2ccc(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 3/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
CACNB4 O00305 3/20 0.35
CACNA1A O00555 3/20 0.35
CACNA1G O43497 3/20 0.35
CACNG3 O60359 3/20 0.35
CACNA1F O60840 3/20 0.35
CACNA1H O95180 3/20 0.35
CACNB3 P54284 3/20 0.35
CACNA2D1 P54289 3/20 0.35
CACNG7 P62955 3/20 0.35
CACNA1B Q00975 3/20 0.35
CACNA1D Q01668 3/20 0.35
CACNB1 Q02641 3/20 0.35
CACNG1 Q06432 3/20 0.35
CACNB2 Q08289 3/20 0.35
CACNA1S Q13698 3/20 0.35

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
SCHEMBL4304429 0.89 KCNH2 (0.38) CYP2C19CYP2C9AKR1A1AKR1B1GRIN2B
Formaldehyde SCHEMBL14801698 0.87 SNCA (0.39) CYP2C19CYP2C9CYP3A4AKR1A1AKR1B1
SCHEMBL1120470 0.86 HTR6 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1120440 0.83 ADRB2 (0.38) CYP2C9AKR1A1AKR1B1ADRA2AADRA1A
SCHEMBL1120530 0.81 BCHE (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1120581 0.77 SNCA (0.37) AKR1A1AKR1B1TBXAS1
SCHEMBL1120723 0.74 SNCA (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14801699 0.72 CNR1 (0.35) CYP2C19CYP2C9CYP3A4AKR1A1AKR1B1
SCHEMBL1120448 0.71 CNR1 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1120695 0.69 KCNH2 (0.48) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 11 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-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
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 CYP2C19 363/4885CYP2C9 1195/4885CYP3A4 541/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2C19 363/4885CYP2C9 1195/4885CYP3A4 541/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2C19 363/4885CYP2C9 1195/4885CYP3A4 541/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2C19 363/4885CYP2C9 1195/4885CYP3A4 541/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 CYP2C19 322/4885CYP2C9 1021/4885CYP3A4 500/4885

“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.