SCHEMBL6970538

SCHEMBL6970538

Cc1c([N+](=O)[O-])cnn1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL28969335 0.79 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL8385965 0.79 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL6970534 0.78 POLB (0.43) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL14800866 0.78 MEN1 (0.43) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL18366033 0.78 POLB (0.43) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL23066567 0.78 PKM (0.43) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL2521727 0.78 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL16523977 0.76 POLB (0.42) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL15171010 0.76 POLB (0.47) MEN1KMT2APOLBL3MBTL1GAA
SCHEMBL15567232 0.75 L3MBTL1 (0.51) MEN1KMT2ACYP3A4CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484482-B Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-06-21 — — CN disclosed
EP-3312164-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2020-12-09 — — EP disclosed
CN-111484482-A Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2020-08-04 — — CN disclosed
EP-3036231-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LTD (IN) 2020-02-26 — — EP disclosed
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof JUBILANT BIOSYS LIMITED (IN) 2019-04-30 — — US disclosed
EP-3312164-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2018-04-25 — — EP disclosed
EP-3122729-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2017-02-01 — — EP disclosed
US-9403801-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-08-02 — — US disclosed
US-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2016-07-21 — — US disclosed
US-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2016-07-21 — — US disclosed
US-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2016-07-21 — — US disclosed
EP-3036231-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Jubilant Biosys Ltd. (IN) 2016-06-29 — — EP disclosed
WO-2015148867-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-10-01 — — WO disclosed
US-20150274704-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-01 — — US disclosed
CN-104926795-A Substituted heteroaryl compound, and composition and application thereof GUANGDONG HEC PHARMACEUTICAL 2015-09-23 — — CN disclosed
WO-2015025197-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2015-02-26 — — WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP 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-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF TYMP, EGFR, TK1 MEN1 4787/4885KMT2A 4738/4885CYP3A4 1938/4885
US-20150274704-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB MEN1 2419/4885KMT2A 1385/4885CYP3A4 2409/4885
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof TYMP, EGFR, TK1 MEN1 4787/4885KMT2A 4738/4885CYP3A4 1938/4885

“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.

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