Sugi Predict

Sugi Predict / Compounds / SCHEMBL359101

SCHEMBL359101

SCHEMBL359101

Nc1cc(Cl)ccc1N1CCC(O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ NOTUM Q6P988 2/20 0.48
▸ KMT2A Q03164 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ AR P10275 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.40
▸ MDM2 Q00987 1/20 0.39
▸ WDR91 A4D1P6 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL23486526 1.00 KDM4E (0.55) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL360043 0.91 KDM4E (0.60) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL29978686 0.91 KDM4E (0.60) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL359428 0.90 KDM4E (0.63) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL29978565 0.90 KDM4E (0.63) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL31669179 0.83 HTT (0.57) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL16146289 0.83 HTT (0.57) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL13957107 0.81 KDM4E (0.40) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL359961 0.81 KDM4E (0.51) KDM4EHTTALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL27911845 0.80 KDM4E (0.58) KDM4EHTTALDH1A1LMNAPOLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP claimed
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 — — CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 — — CN disclosed
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 — — CN disclosed
CN-105367577-B Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-04-23 — — CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 — — US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 — — US disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885

“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.