Sugi Predict

Sugi Predict / Compounds / SCHEMBL1531321

SCHEMBL1531321

SCHEMBL1531321

COc1cc(N)ccc1OCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ GAA P10253 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ PTGDR2 Q9Y5Y4 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.56
▸ APP P05067 2/20 0.54
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL13244214 0.93 POLB (0.62) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8905331 0.90 PTGDR2 (0.66) POLBSMN1; SMN2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL8484286 0.88 PTGDR2 (0.64) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL15652814 0.87 MAPT (0.60) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL12144018 0.85 GAA (0.58) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL13725179 0.83 ALDH1A1 (0.66) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL2742568 0.81 KDM4E (0.66) POLBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3533533 0.81 ALDH1A1 (0.65) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL5275178 0.81 POLB (0.64) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10816768 0.81 PTGDR2 (0.60) POLBSMN1; SMN2KDM4EPTGDR2GLA

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 33 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
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-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
EP-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 — — EP disclosed
US-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 — — US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 — — EP disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 — — WO disclosed
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 — — EP disclosed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 — — US disclosed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 — — EP disclosed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 — — 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 (6 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 3335/4885SMN1; SMN2 882/4885MEN1 544/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 2133/4885SMN1; SMN2 835/4885MEN1 1218/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 3335/4885SMN1; SMN2 882/4885MEN1 544/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R POLB 3995/4885SMN1; SMN2 1571/4885MEN1 512/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885SMN1; SMN2 986/4885MEN1 636/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885SMN1; SMN2 986/4885MEN1 636/4885

“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.