Sugi Predict

Sugi Predict / Compounds / SCHEMBL2371617

SCHEMBL2371617

SCHEMBL2371617

COc1cc(N)ccc1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ GAA P10253 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ MAPK1 P28482 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NR4A1 P22736 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP19A1 P11511 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 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
SCHEMBL1010304 0.92 KDM4E (0.50) MAPTGAAKDM4EMAPK1TSHR
SCHEMBL7325807 0.90 ALDH1A1 (0.50) MAPTGAAKDM4EMAPK1TSHR
Hydrochloric Acid SCHEMBL10607534 0.88 ALDH1A1 (0.53) MAPTGAAKDM4EMAPK1TSHR
SCHEMBL77823 0.83 KDM4E (0.67) MAPTGAAKDM4EMAPK1TSHR
SCHEMBL29377777 0.83 KDM4E (0.67) MAPTGAAKDM4EMAPK1TSHR
SCHEMBL2438047 0.83 KDM4E (0.67) MAPTGAAKDM4EMAPK1TSHR
SCHEMBL4321731 0.82 KDM4E (0.53) MAPTGAAKDM4EMAPK1TSHR
SCHEMBL18727243 0.82 KDM4E (0.57) MAPTGAAKDM4EMAPK1TSHR
Hydrochloric Acid SCHEMBL17631179 0.81 GAA (0.56) MAPTGAAKDM4EMAPK1TSHR
SCHEMBL2088008 0.81 GAA (0.43) MAPTGAAKDM4EMAPK1TSHR

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 31 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
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 — — EP 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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed
CN-101039946-B Disubstituted pyrazolobenzodiazepines useful as inhibitors for CDK2 and angiogenesis and for the treatment of breast, colon, lung and prostate cancer HOFFMANN LA ROCHE 2010-12-08 — — CN disclosed
CN-101899049-A Disubstituted pyrazole and benzodiazepines class HOFFMANN LA ROCHE 2010-12-01 — — CN disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 — — US disclosed
US-7524840-B2 7,8-disubstituted pyrazolobenzodiazepines HOFFMANN-LA ROCHE INC. (US) 2009-04-28 — — US disclosed
EP-1802625-B1 DISUBSTITUTED PYRAZOLOBENZODIAZEPINES USEFUL AS INHIBITORS FOR CDK2 AND ANGIOGESIS, AND FOR THE TREATMENT OF BREAST, COLON, LUNG AND PROSTATE CANCER HOFFMANN LA ROCHE (CH) 2008-06-18 — — EP disclosed
CN-101039946-A Disubstituted pyrazolobenzodiazepines * useful as inhibitors for CDK2 and angiogenesis and for the treatment of breast, colon, lung and prostate cancer HOFFMANN LA ROCHE (CH) 2007-09-19 — — CN disclosed
EP-1802625-A1 DISUBSTITUTED PYRAZOLOBENZODIAZEPINES USEFUL AS INHIBITORS FOR CDK2 AND ANGIOGESIS, AND FOR THE TREATMENT OF BREAST, COLON, LUNG AND PROSTATE CANCER F. Hoffmann-Roche AG (CH) 2007-07-04 — — EP disclosed
WO-2006040036-A1 DISUBSTITUTED PYRAZOLOBENZODIAZEPINES USEFUL AS INHIBITORS FOR CDK2 AND ANGIOGESIS, AND FOR THE TREATMENT OF BREAST, COLON, LUNG AND PROSTATE CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 — — WO disclosed
US-20060079511-A1 7,8-Disubstituted pyrazolobenzodiazepines LIU JIN-JUN 2006-04-13 — — 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 (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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A MAPT 334/4885GAA 844/4885KDM4E 3689/4885
US-20060079511-A1 7,8-Disubstituted pyrazolobenzodiazepines CDK2, CDK1, CDK7 MAPT 3708/4885GAA 4745/4885KDM4E 1495/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 501/4885GAA 940/4885KDM4E 1409/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885GAA 742/4885KDM4E 1662/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885GAA 698/4885KDM4E 1645/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885GAA 698/4885KDM4E 1645/4885

“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.