SCHEMBL16210782

SCHEMBL16210782

COC(=O)c1[nH]c(C)nc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
NPSR1 Q6W5P4 3/20 0.40
XDH P47989 1/20 0.38
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CSNK2A1 P68400 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PADI4 Q9UM07 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MAPT P10636 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL15050480 0.82 NPSR1 (0.41) KDM4CNPSR1XDHTSHRL3MBTL1
SCHEMBL24283847 0.81 ALDH1A1 (0.50) TSHRL3MBTL1LMNAKDM4EALDH1A1
SCHEMBL24284346 0.80 NPSR1 (0.43) KDM4CNPSR1TSHRL3MBTL1LMNA
SCHEMBL20113740 0.79 NPSR1 (0.39) KDM4CNPSR1XDHTSHRL3MBTL1
SCHEMBL24283709 0.79 NPSR1 (0.39) KDM4CNPSR1XDHTSHRL3MBTL1
SCHEMBL14736371 0.78 NPSR1 (0.52) KDM4CNPSR1TSHRL3MBTL1LMNA
SCHEMBL3032708 0.78 GPR35 (0.37) NPSR1CSNK2A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24283838 0.77 LMNA (0.37) KDM4CNPSR1XDHL3MBTL1LMNA
SCHEMBL8710553 0.77 NPSR1 (0.36) KDM4CNPSR1XDHLMNAKDM4E
Bromide SCHEMBL10790740 0.76 CYP1A2 (0.36) NPSR1CSNK2A1ALDH1A1SMN1; SMN2MAPK1

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 23 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
EP-2991989-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS Pfizer Inc. (US) 2016-03-09 EP 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-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
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
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
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 KDM4C 612/4885NPSR1 235/4885XDH 36/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A KDM4C 612/4885NPSR1 235/4885XDH 36/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A KDM4C 612/4885NPSR1 235/4885XDH 36/4885

“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.