Sugi Predict

Sugi Predict / Compounds / SCHEMBL310290

SCHEMBL310290

SCHEMBL310290

COc1cc(C2CCNCC2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.55
▸ PDE4B Q07343 1/20 0.54
▸ QDPR P09417 2/20 0.49
▸ TLR9 Q9NR96 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TGFBR1 P36897 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ HTR3A P46098 1/20 0.46

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
Hydrochloric Acid SCHEMBL3319085 0.98 HTR2C (0.56) HTR2CPDE4BQDPRTLR9TLR7
SCHEMBL20225757 0.90 ALDH1A1 (0.53) PDE4BQDPRALDH1A1CYP3A4TSHR
SCHEMBL13362064 0.89 HTR2C (0.54) HTR2CPDE4BQDPRTLR9TLR7
Tert-Butyl Formate SCHEMBL28108127 0.87 HTR2C (0.44) HTR2CPDE4BQDPRTLR9TLR7
SCHEMBL20073494 0.86 ALDH1A1 (0.50) PDE4BQDPRALDH1A1CYP3A4TSHR
SCHEMBL2473309 0.86 PDE4B (0.64) HTR2CPDE4BQDPRTLR9TLR7
Hydrochloric Acid SCHEMBL9014415 0.85 PDE4B (0.62) HTR2CPDE4BQDPRTLR9TLR7
Hydrochloric Acid SCHEMBL9772895 0.85 PDE4B (0.62) HTR2CPDE4BQDPRTLR9TLR7
SCHEMBL3319709 0.85 PDE4B (0.51) HTR2CPDE4BALDH1A1CYP3A4TSHR
SCHEMBL27715450 0.85 ALDH1A1 (0.48) PDE4BQDPRALDH1A1CYP3A4TSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
CN-106536503-B A kind of tyrosine kinase inhibitor and application thereof 北京澳合药物研究院有限公司 2019-09-06 — — CN disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
CN-106536503-A Tyrosine kinase inhibitor and uses thereof 山东轩竹医药科技有限公司 2017-03-22 — — CN disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 — — EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US 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 (7 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 HTR2C 3172/4885PDE4B 551/4885QDPR 511/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2C 2199/4885PDE4B 2062/4885QDPR 3390/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2C 1469/4885PDE4B 1237/4885QDPR 2413/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2C 2199/4885PDE4B 2062/4885QDPR 3390/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 HTR2C 3172/4885PDE4B 551/4885QDPR 511/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR2C 2007/4885PDE4B 2301/4885QDPR 3201/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR2C 2007/4885PDE4B 2301/4885QDPR 3201/4885

“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.