SCHEMBL355413

SCHEMBL355413

CN(C)C(=O)c1ccc(O)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.60
ESR2 Q92731 3/20 0.60
ACHE P22303 1/20 0.50
ERN1 O75460 5/20 0.49
SNCA P37840 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSP90AA1 P07900 4/20 0.44
PDK2 Q15119 2/20 0.44
HSP90AB1 P08238 3/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL2653855 0.84 CES2 (0.59) ESR1ESR2ERN1ALDH1A1HPGD
SCHEMBL9131982 0.82 CA12 (0.56) ERN1SNCAKDM4EALDH1A1HPGD
SCHEMBL16905393 0.81 HDAC1 (0.58) ESR1ESR2ERN1LMNAALDH1A1
SCHEMBL356994 0.79 HDAC1 (0.56) ESR1ESR2ERN1ALDH1A1HPGD
SCHEMBL16186288 0.79 ERN1 (0.44) ESR1ESR2ERN1LMNAALDH1A1
SCHEMBL788674 0.79 ERN1 (0.44) ESR1ESR2ERN1LMNAALDH1A1
SCHEMBL850387 0.79 ERN1 (0.44) ESR1ESR2ERN1ALDH1A1HPGD
SCHEMBL10242017 0.78 ERN1 (0.50) ESR1ESR2ERN1ALDH1A1HPGD
SCHEMBL12813483 0.78 ERN1 (0.47) ESR1ESR2ERN1ALDH1A1HPGD
SCHEMBL19454508 0.78 HSP90AA1 (0.44) ERN1ALDH1A1HPGDSMN1; SMN2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 US claimed
EP-2874632-B1 TRIAZINE COMPOUND HAVING PI3K-ALPHA AND MTOR INHIBITING ACTIVITY SPHAERA PHARMA PTE LTD (SG) 2020-06-17 EP disclosed
US-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 US disclosed
US-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 US disclosed
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2015-07-16 US disclosed
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2015-07-16 US disclosed
EP-2874632-A2 NOVEL TRIAZINE COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2015-05-27 EP disclosed
WO-2014016849-A9 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2014-03-13 WO disclosed
WO-2014016849-A9 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2014-03-13 WO disclosed
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
WO-2014016849-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD. (SG) 2014-01-30 WO disclosed
EP-2643310-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS Pfizer Inc (US) 2013-10-02 EP disclosed
WO-2012145361-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-26 WO disclosed
WO-2012069948-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2012-05-31 WO disclosed
WO-2012069948-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2012-05-31 WO disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 ESR1 969/4885ESR2 684/4885ACHE 4318/4885
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS MTOR, PIK3R5, PIK3R2 ESR1 3611/4885ESR2 3256/4885ACHE 4833/4885
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, SLC5A2 ESR1 1757/4885ESR2 582/4885ACHE 2073/4885

“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.