SCHEMBL18050985

SCHEMBL18050985

Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
MAPT P10636 4/20 0.63
POLB P06746 3/20 0.63
THRB P10828 1/20 0.63
PTGS1 P23219 1/20 0.62
BLM P54132 1/20 0.61
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
MITF O75030 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL13622980 0.87 KMT2A (0.76) MEN1KMT2AMAPTPOLBPTGS1
SCHEMBL8710919 0.87 MEN1 (0.80) MEN1KMT2AMAPTPOLBTHRB
SCHEMBL29568808 0.86 PTGS1 (0.79) MEN1KMT2AMAPTPOLBPTGS1
SCHEMBL8399784 0.86 PTGS1 (0.79) MEN1KMT2AMAPTPOLBPTGS1
Hydrochloric Acid SCHEMBL1026362 0.86 KMT2A (0.74) MEN1KMT2AMAPTPOLBPTGS1
SCHEMBL1883258 0.86 MEN1 (0.71) MEN1KMT2AMAPTPOLBPTGS1
SCHEMBL9329754 0.83 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL927121 0.83 PTGS1 (0.74) MEN1KMT2AMAPTPOLBPTGS1
SCHEMBL29672230 0.83 PTGS1 (0.74) MEN1KMT2AMAPTPOLBPTGS1
SCHEMBL18941246 0.83 NPC1 (0.66) MEN1KMT2AMAPTPOLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-09-08 US disclosed
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-30 US disclosed
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-30 US disclosed
CN-107530329-B Pyrazolo [1, 5-a ] [1, 3, 5] triazine and pyrazolo [1, 5-a ] pyrimidine derivatives as CDK inhibitors 奥瑞基尼探索技术有限公司 2021-10-08 CN disclosed
EP-3268000-B1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-08-04 EP disclosed
EP-3268000-B1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-08-04 EP disclosed
US-20180258092-A9 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-09-13 US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 US disclosed
EP-3268000-A2 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-01-17 EP disclosed
CN-107530329-A Pyrazolo [1,5 a] [1,3,5] triazine and pyrazolo [1,5 a] pyrimidine derivatives as CDK inhibitor 奥瑞基尼探索技术有限公司 2018-01-02 CN disclosed
WO-2016142855-A2 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-09-15 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 (4 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-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 MEN1 1511/4885KMT2A 647/4885MAPT 3231/4885
US-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK13, CDK1 MEN1 1903/4885KMT2A 648/4885MAPT 3463/4885
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors CDK15, CDK1, CDK19 MEN1 1511/4885KMT2A 647/4885MAPT 3231/4885
US-20180258092-A9 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 MEN1 1511/4885KMT2A 647/4885MAPT 3231/4885

“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.