SCHEMBL1120440

SCHEMBL1120440

CNCCc1cn(CCCc2ccc(C(F)(F)F)nc2)c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
KCNH2 Q12809 2/20 0.37
LCK P06239 1/20 0.37
PGR P06401 1/20 0.37
CSF1R P07333 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
PDGFRB P09619 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KIT P10721 1/20 0.37
CHRM1 P11229 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

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 0.94 KCNH2 (0.38) ADRB2KCNH2LCKPGRCSF1R
Formaldehyde SCHEMBL14801698 0.92 SNCA (0.39) ADRB2KCNH2LCKPGRCSF1R
SCHEMBL1120643 0.83 CYP2C19 (0.39) ADRA2AADRA1ADRD3CYP2C9AKR1A1
SCHEMBL1120581 0.82 SNCA (0.37) ADRB2KCNH2SNCAAKR1A1AKR1B1
SCHEMBL1120766 0.82 KCNH2 (0.46) ADRB2KCNH2SNCATAAR1
SCHEMBL1120759 0.81 ICMT (0.40) ADRB2SNCACNR2ACLYTAAR1
SCHEMBL1120388 0.80 ACLY (0.44) ADRB2KDRSNCAACLYTAAR1
SCHEMBL1120723 0.78 SNCA (0.38) ADRB2KCNH2SNCACDK2TAAR1
SCHEMBL14801699 0.78 CNR1 (0.35) KCNH2LCKPGRCSF1RCHRM2
SCHEMBL1120530 0.76 BCHE (0.42) ADRA2AADRA1ADRD3KDR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
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-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 (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 ADRB2 210/4885KCNH2 1610/4885LCK 1044/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ADRB2 210/4885KCNH2 1610/4885LCK 1044/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ADRB2 210/4885KCNH2 1610/4885LCK 1044/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ADRB2 210/4885KCNH2 1610/4885LCK 1044/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 ADRB2 205/4885KCNH2 1618/4885LCK 1140/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 ADRB2 2950/4885KCNH2 3195/4885LCK 352/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 ADRB2 2950/4885KCNH2 3195/4885LCK 352/4885

“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.