SCHEMBL3526679

SCHEMBL3526679

N#Cc1[c]sc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
EGFR P00533 1/20 0.30
SRC P12931 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
SCHEMBL317826 0.69 GPR3 (0.42) GPR3KDM4EALDH1A1MAPTCACNA1B
SCHEMBL66254 0.67 GPR3 (0.40) GPR3KDM4EALDH1A1MEN1GAA
SCHEMBL767077 0.67 GPR3 (0.40) GPR3KDM4EALDH1A1MEN1GAA
SCHEMBL65944 0.67 GPR3 (0.40) GPR3KDM4EALDH1A1MAPTCACNA1B
SCHEMBL66184 0.67 GPR3 (0.40) GPR3KDM4EALDH1A1MAPTCACNA1B
SCHEMBL2956882 0.64 GPR3 (0.37) GPR3ALDH1A1
SCHEMBL15902389 0.62
SCHEMBL10470919 0.62 GPR3 (0.36) GPR3KDM4EMAPT
SCHEMBL3525196 0.62 EPHX2 (0.36) GPR3ALDH1A1TSHR
SCHEMBL3136356 0.62 GPR3 (0.36) GPR3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652063-B2 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis ALLERGAN, INC. (US) 2010-01-26 US disclosed
EP-1327630-B1 NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION ESTEVE LABOR DR (ES) 2007-12-12 EP disclosed
US-7300937-B2 Derivatives of cyano-aryl (or cyanoheteroaryl)-carbonyl-piperazinyl-pyrimidines, their preparation and application as medication LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-27 US disclosed
US-7169807-B2 10-Hydroxy-11-dihydroprostaglandin analogs as selective EP4 agonists ALLERGAN, INC. (US) 2007-01-30 US disclosed
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS ALLERGAN, INC. (US) 2007-01-11 US disclosed
WO-2005100339-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS ALLERGAN, INC. (US) 2005-10-27 WO disclosed
US-20050228185-A1 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis ALLERGAN, INC. (US) 2005-10-13 US disclosed
US-20040048872-A1 New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2004-03-11 US disclosed
EP-1327630-A1 NEW DERIVATIVES OF CYANO-ARYL (OR CYANOHETEROARYL)-CARBONYL-PIPERAZINYL-PYRIMIDINES, THEIR PREPARATION AND APPLICATION AS MEDICATION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-07-16 EP disclosed
US-4055556-A PIGMENTS SANDOZ LTD. (CH) 1977-10-25 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 (3 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-20040048872-A1 New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication CBR3, CBR1, CNR1 GPR3 300/4885KDM4E 1472/4885ALDH1A1 304/4885
US-20050228185-A1 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis CRHR2, HRH4, CNR2 GPR3 143/4885KDM4E 3533/4885ALDH1A1 3053/4885
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS PTGER4, PTGER2, PTGER1 GPR3 134/4885KDM4E 2046/4885ALDH1A1 3364/4885

“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.