Sugi Predict

Sugi Predict / Compounds / SCHEMBL444442

SCHEMBL444442

SCHEMBL444442

Cc1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PIK3CG P48736 1/20 0.50
▸ KMO O15229 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39

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
SCHEMBL441888 0.83 MAPT (0.59) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL446173 0.82 MEN1 (0.58) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3754047 0.80 MEN1 (0.56) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL1667688 0.80 KMO (0.47) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL210678 0.80 MEN1 (0.66) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL16161191 0.80 KMT2A (0.55) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL1509466 0.79 APP (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL442646 0.79 HPGDS (0.42) KMT2AMEN1KDM4EMAPTPIK3CG
SCHEMBL212750 0.79 NPC1 (0.61) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL6508869 0.79 MEN1 (0.82) KMT2AMEN1KDM4EMAPTALDH1A1

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
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 — — CN disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 — — US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 — — US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 — — EP disclosed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 — — EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 — — US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 — — US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 — — US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 — — EP disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 — — WO disclosed
US-8008488-B2 Pyrimidin-2-one compounds and their use as dopamine D3 receptor ligands ABBOTT GMBH & CO. KG (DE) 2011-08-30 — — US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 — — US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 — — EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 — — WO disclosed
EP-1601659-B1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2008-01-16 — — EP disclosed
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ABBOT GMBH & CO. KG (DE) 2006-10-19 — — US disclosed
EP-1601659-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2005-12-07 — — EP disclosed
WO-2004080981-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2004-09-23 — — 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 KMT2A 2159/4885MEN1 4118/4885KDM4E 2345/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 KMT2A 2159/4885MEN1 4118/4885KDM4E 2345/4885
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ADRB3, DRD3, OPRL1 KMT2A 4190/4885MEN1 4488/4885KDM4E 4808/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS KMT2A 1111/4885MEN1 339/4885KDM4E 1251/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 KMT2A 2159/4885MEN1 4118/4885KDM4E 2345/4885

“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.