SCHEMBL2055554

SCHEMBL2055554

CC1(C(N)=O)Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
HDAC9 Q9UKV0 1/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.35
LMNA P02545 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
SCHEMBL2055550 0.87 IDH1 (0.43) BRD4POLBNOTUMGAA
SCHEMBL8114506 0.80 NOTUM (0.43) BRD4HDAC9POLBL3MBTL1NOTUM
SCHEMBL1786936 0.80 HDAC9 (0.44) BRD4HDAC9POLBL3MBTL1NOTUM
SCHEMBL9526787 0.78 BRD4 (0.41) BRD4HDAC9POLBL3MBTL1NOTUM
Hydrochloric Acid SCHEMBL9526798 0.78 HDAC9 (0.43) BRD4HDAC9POLBL3MBTL1NOTUM
SCHEMBL30047054 0.77 NOTUM (0.38) NOTUMALDH1A1MEN1KMT2A
SCHEMBL14173250 0.76 ALDH1A1 (0.47) POLBALDH1A1MEN1KMT2A
SCHEMBL13620657 0.76 HDAC9 (0.40) HDAC9POLBL3MBTL1NOTUMALDH1A1
SCHEMBL1470334 0.75 MEN1 (0.47) BRD4HDAC9POLBL3MBTL1NOTUM
SCHEMBL855461 0.74 BRD4 (0.41) BRD4HDAC9POLBL3MBTL1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230011968-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-01-12 US disclosed
US-20200087266-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-03-19 US disclosed
EP-3456713-A1 PROCESS FOR THE PREPARATION OF TRIAZINE DERIVATIVES Japan Tobacco Inc. (JP) 2019-03-20 EP disclosed
EP-3109240-B1 TRIAZINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2018-10-24 EP disclosed
EP-3109240-A1 TRIAZINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2016-12-28 EP disclosed
US-20150266834-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-09-24 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 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 (5 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR BRD4 39/4885HDAC9 1344/4885POLB 3296/4885
US-20150266834-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGIS, PTGS1, PTGES BRD4 4305/4885HDAC9 1403/4885POLB 3003/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR BRD4 51/4885HDAC9 1312/4885POLB 3550/4885
US-20200087266-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGIS, PTGS1, PTGES BRD4 4305/4885HDAC9 1403/4885POLB 3003/4885
US-20230011968-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGIS, PTGS1, PTGES BRD4 4305/4885HDAC9 1403/4885POLB 3003/4885

“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.