SCHEMBL597477

SCHEMBL597477

CCC1CCN(CC#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.36
MAOA P21397 3/20 0.36
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL22691891 0.82 MAOB (0.36) MAOBMAOAALDH1A1MAPTSIGMAR1
SCHEMBL240458 0.79 ALDH1A1 (0.58) ALDH1A1MAPTJAK2JAK1PKM
SCHEMBL665768 0.78 MAOA (0.34) MAOBMAOAALDH1A1MAPTSIGMAR1
SCHEMBL4375127 0.78 MAOA (0.34) MAOBMAOAALDH1A1MAPTSIGMAR1
SCHEMBL4375132 0.78 MAOB (0.34) MAOBMAOAALDH1A1MAPTHRH3
SCHEMBL14609540 0.78 NCF1 (0.46) MAOBMAOAALDH1A1MAPTSIGMAR1
SCHEMBL27774486 0.78 MAOB (0.32) MAOBMAOACHRM2CHRM4CHRM5
SCHEMBL27872230 0.78 SIGMAR1 (0.34) MAOBMAOASIGMAR1
SCHEMBL665736 0.77 ACHE (0.43) ALDH1A1HRH3CHRM2CHRM4CHRM5
SCHEMBL14330432 0.77 MAP3K12 (0.34) ALDH1A1MAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2020-11-10 US disclosed
US-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-09-19 US disclosed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 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 (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-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAOB 2453/4885MAOA 3967/4885ALDH1A1 3753/4885
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C MAOB 45/4885MAOA 46/4885ALDH1A1 1162/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C MAOB 45/4885MAOA 46/4885ALDH1A1 1162/4885
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS MAOB 2453/4885MAOA 3967/4885ALDH1A1 3753/4885

“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.