Sugi Predict

Sugi Predict / Compounds / SCHEMBL3000922

SCHEMBL3000922

SCHEMBL3000922

Nc1ccc(C(=O)NCCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ HDAC3 O15379 2/20 0.58
▸ HDAC4 P56524 2/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC7 Q8WUI4 2/20 0.58
▸ HDAC2 Q92769 2/20 0.58
▸ HDAC10 Q969S8 2/20 0.58
▸ HDAC11 Q96DB2 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC9 Q9UKV0 2/20 0.58
▸ HDAC5 Q9UQL6 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ SLC22A6 Q4U2R8 1/20 0.58
▸ SLC22A8 Q8TCC7 1/20 0.58
▸ LMNA P02545 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPK1 P28482 2/20 0.57

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
SCHEMBL11230329 0.90 KDM4E (0.63) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL12515200 0.90 KDM4E (0.63) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9717433 0.90 POLB (0.68) POLBKDM4EALDH1A1MAPK1HPGD
SCHEMBL14097385 0.89 MAPK1 (0.65) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9419699 0.89 MAPK1 (0.65) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL853629 0.89 KDM4E (0.61) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10536163 0.89 MAPK1 (0.65) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13351805 0.89 POLB (0.59) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9344489 0.86 KDM4E (0.68) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3000921 0.85 POLB (0.58) POLBKDM4EALDH1A1MAPK1TSHR

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
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 — — US claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US 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-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 — — EP 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-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 — — CN disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — 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 (9 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 3335/4885HDAC3 4407/4885HDAC4 3300/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 2133/4885HDAC3 4571/4885HDAC4 4049/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 3335/4885HDAC3 4407/4885HDAC4 3300/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 POLB 3173/4885HDAC3 612/4885HDAC4 783/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 POLB 3173/4885HDAC3 612/4885HDAC4 783/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK POLB 3335/4885HDAC3 4407/4885HDAC4 3300/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 POLB 3045/4885HDAC3 3620/4885HDAC4 3144/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885HDAC3 4395/4885HDAC4 3481/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885HDAC3 4395/4885HDAC4 3481/4885

“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.