SCHEMBL16210671

SCHEMBL16210671

COc1cc(Br)c2c(c1OCc1ccccc1)CN(C(C)=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.44
GPR183 P32249 1/20 0.44
MCHR1 Q99705 2/20 0.43
APP P05067 1/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL16220575 0.92 MCHR1 (0.45) PTGDR2GPR183MCHR1MAPTTHRB
SCHEMBL16221376 0.91 MCHR1 (0.43) PTGDR2GPR183MCHR1THRB
SCHEMBL16210632 0.87 PTGDR2 (0.45) PTGDR2
SCHEMBL11747939 0.82 AGTR2 (0.53) GPR183KMT2ANPC1
Fumaric Acid SCHEMBL7481233 0.76 MEN1 (0.47) APPKMT2AMEN1KDM4EALDH1A1
Fumaric Acid SCHEMBL7481240 0.76 MEN1 (0.47) APPKMT2AMEN1KDM4EALDH1A1
SCHEMBL7475383 0.75 KMT2A (0.46) KMT2ANPC1MEN1RAB9AKDM4E
SCHEMBL9667825 0.75 CHRNA7 (0.69) GPR183KMT2ANPC1MEN1KDM4E
SCHEMBL9668362 0.75 CHRNA7 (0.69) GPR183KMT2ANPC1MEN1KDM4E
SCHEMBL7481238 0.75 MEN1 (0.44) APPKMT2AMEN1KDM4EALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 US disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A PTGDR2 320/4885GPR183 882/4885MCHR1 1130/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A PTGDR2 320/4885GPR183 882/4885MCHR1 1130/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A PTGDR2 320/4885GPR183 882/4885MCHR1 1130/4885

“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.