SCHEMBL1064764

SCHEMBL1064764

Cc1ccc(C)n1-c1cc(Cl)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MYC P01106 3/20 0.32
▸ NR4A1 P22736 3/20 0.32
▸ CTSB P07858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6125259 0.81 BAZ2B (0.37) KDM4EALDH1A1L3MBTL1NR4A1TDP1
SCHEMBL10537 0.76 KDM4E (0.38) KDM4EALDH1A1L3MBTL1MYCNR4A1
SCHEMBL16446616 0.76 KDM4E (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL24008182 0.73 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL17796670 0.72 ALDH1A1 (0.33) KDM4EALDH1A1L3MBTL1NR4A1
SCHEMBL17796453 0.72 KDM4E (0.34) KDM4EALDH1A1L3MBTL1NR4A1
SCHEMBL10933572 0.72 KDM4E (0.45) KDM4EALDH1A1L3MBTL1
SCHEMBL17796551 0.72 KDM4E (0.31) KDM4EALDH1A1L3MBTL1
SCHEMBL17687609 0.71 KDM4E (0.30) KDM4EALDH1A1L3MBTL1
SCHEMBL18029677 0.71 KDM4E (0.30) KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036231-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LTD (IN) 2020-02-26 — — EP 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
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof JUBILANT BIOSYS LIMITED (IN) 2019-04-30 — — 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-2015025197-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2015-02-26 — — WO disclosed
WO-2015025197-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2015-02-26 — — WO disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 — — EP disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 — — EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 — — US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 — — WO disclosed
US-4795817-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-01-03 — — US disclosed
WO-1985001732-A1 8-SUBSTITUTED PYRAZOLOPENTATHIEPINS AND RELATED COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-25 — — WO disclosed
EP-0138622-A2 8-substituted pyrazolopentathiepins and related compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-24 — — 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KDM4E 2578/4885ALDH1A1 1059/4885L3MBTL1 4364/4885
US-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF TYMP, EGFR, TK1 KDM4E 4678/4885ALDH1A1 2192/4885L3MBTL1 4743/4885
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof TYMP, EGFR, TK1 KDM4E 4678/4885ALDH1A1 2192/4885L3MBTL1 4743/4885

“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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