SCHEMBL4304429

SCHEMBL4304429

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
LCK P06239 1/20 0.38
PGR P06401 1/20 0.38
CSF1R P07333 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
PDGFRB P09619 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
KIT P10721 1/20 0.38
CHRM1 P11229 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
Formaldehyde SCHEMBL14801698 0.97 SNCA (0.39) KCNH2LCKPGRCSF1RCHRM2
SCHEMBL1120440 0.94 ADRB2 (0.38) KCNH2LCKPGRCSF1RCHRM2
SCHEMBL1120643 0.89 CYP2C19 (0.39) ADRA2AADRA1ADRD3CYP2C9AKR1A1
SCHEMBL1120581 0.88 SNCA (0.37) KCNH2SNCAAKR1A1AKR1B1ADRB2
SCHEMBL1120723 0.83 SNCA (0.38) KCNH2SNCAADRB2CDK2TAAR1
SCHEMBL14801699 0.83 CNR1 (0.35) KCNH2LCKPGRCSF1RCHRM2
SCHEMBL1120695 0.81 KCNH2 (0.48) KCNH2SNCACNR1ADRB2TAAR1
SCHEMBL1120766 0.75 KCNH2 (0.46) KCNH2SNCAADRB2TAAR1
SCHEMBL1120470 0.75 HTR6 (0.46) ADRA2AADRA1ADRD3CDK2GRIN2B
SCHEMBL13674428 0.75 CHRNA7 (0.34) KCNH2LCKPGRCSF1RCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US 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 (4 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 KCNH2 1610/4885LCK 1044/4885PGR 1036/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KCNH2 1610/4885LCK 1044/4885PGR 1036/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KCNH2 1610/4885LCK 1044/4885PGR 1036/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KCNH2 1618/4885LCK 1140/4885PGR 1038/4885

“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.