SCHEMBL16210583

SCHEMBL16210583

CCOC(=O)c1[nH]c(C)nc1C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4B Q07343 1/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL16211200 0.92 ALDH1A1 (0.39) TSHRALOX15ALDH1A1HPGDHTT
SCHEMBL4896898 0.92 ALDH1A1 (0.46) TSHRALDH1A1HPGDHTTKDM4E
SCHEMBL7310655 0.80 ALDH1A1 (0.44) TSHRALDH1A1HPGDHTTKDM4E
SCHEMBL16220622 0.78 PIK3CG (0.34) TSHRALDH1A1L3MBTL1
SCHEMBL15565944 0.76 PDE4B (0.39) TSHRALOX15ALDH1A1HPGDHTT
SCHEMBL16217194 0.72 ALDH1A1 (0.42) TSHRALDH1A1HPGDHTTPDE4B
SCHEMBL19900019 0.72 TSHR (0.37) TSHRALDH1A1HPGDHTTKDM4E
SCHEMBL285617 0.71 ALDH1A1 (0.40) TSHRALDH1A1HPGDHTTKDM4E
SCHEMBL16211151 0.71 ALDH1A1 (0.42) TSHRALOX15ALDH1A1HPGDHTT
SCHEMBL2616850 0.71 ALDH1A1 (0.53) TSHRALDH1A1HPGDHTTKDM4E

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
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
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 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 (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 TSHR 419/4885ALOX15 4053/4885ALDH1A1 975/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A TSHR 419/4885ALOX15 4053/4885ALDH1A1 975/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A TSHR 419/4885ALOX15 4053/4885ALDH1A1 975/4885

“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.