SCHEMBL16211151

SCHEMBL16211151

CCOC(=O)c1c(C2CCOCC2)nc(C)n1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 3/20 0.35
KDM4E B2RXH2 2/20 0.35
OPRK1 P41145 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16217194 0.86 ALDH1A1 (0.42) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL16210109 0.81 ALDH1A1 (0.41) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL27006519 0.76 PDE4B (0.39) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL27006441 0.74 ALDH1A1 (0.38) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL18704148 0.73 MAPK1 (0.49) ALDH1A1HSD17B10HPGDKMT2ARAB9A
SCHEMBL16210583 0.71 TSHR (0.41) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL15885600 0.71 PDE4B (0.46) ALDH1A1LMNAPDE4BKDM4EOPRK1
SCHEMBL20657611 0.70 DHODH (0.40) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL285617 0.69 ALDH1A1 (0.40) ALDH1A1TSHRGAAHTTHSD17B10
SCHEMBL15565944 0.69 PDE4B (0.39) ALDH1A1TSHRGAAHTTHSD17B10

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
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-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
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO 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 ALDH1A1 975/4885TSHR 419/4885GAA 1836/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A ALDH1A1 975/4885TSHR 419/4885GAA 1836/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A ALDH1A1 975/4885TSHR 419/4885GAA 1836/4885

“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.