Sugi Predict

Sugi Predict / Compounds / SCHEMBL131335

SCHEMBL131335

SCHEMBL131335

CNC1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ PDE7A Q13946 3/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOS1 P29475 3/20 0.32
▸ NOS2 P35228 3/20 0.32
▸ NOS3 P29474 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15685545 1.00 IRAK4 (0.36) IRAK4PDE7AHRH3PIM1L3MBTL3
SCHEMBL12731382 1.00 IRAK4 (0.36) IRAK4PDE7AHRH3PIM1L3MBTL3
Hydrochloric Acid SCHEMBL153021 0.98 IRAK4 (0.36) IRAK4PDE7AHRH3PIM1L3MBTL3
SCHEMBL12793948 0.92 KDM4E (0.41) IRAK4PDE7AHRH3L3MBTL3L3MBTL1
SCHEMBL12793275 0.92 KDM4E (0.41) IRAK4PDE7AHRH3L3MBTL3L3MBTL1
SCHEMBL12793878 0.91 POLB (0.34) PDE7AHRH3DRD2DRD3SIGMAR1
SCHEMBL15685757 0.91 POLB (0.34) PDE7AHRH3DRD2DRD3SIGMAR1
SCHEMBL12793873 0.91 POLB (0.34) PDE7AHRH3DRD2DRD3SIGMAR1
SCHEMBL12731254 0.88 IRAK4 (0.33) IRAK4PDE7AL3MBTL3L3MBTL1
SCHEMBL12731255 0.88 IRAK4 (0.33) IRAK4PDE7AL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 — — EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 — — EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 — — US disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 — — US disclosed
CN-108707139-B Aminopyrimidine compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2021-04-06 — — CN disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 — — EP disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 — — EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 — — US disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 — — US disclosed
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-8394805-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-12 — — US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 — — US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 — — US disclosed
WO-2012028331-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2012-03-08 — — WO disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110098282-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 — — US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 — — CN disclosed
WO-2009021944-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — 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-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds BDKRB1, BDKRB2, LTB4R IRAK4 1494/4885PDE7A 665/4885HRH3 39/4885
US-20110098282-A1 NEW COMPOUNDS BRDT, AURKAIP1, ABCG2 IRAK4 4576/4885PDE7A 2826/4885HRH3 3959/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR IRAK4 952/4885PDE7A 1366/4885HRH3 3238/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR IRAK4 952/4885PDE7A 1366/4885HRH3 3238/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 IRAK4 1461/4885PDE7A 1892/4885HRH3 11/4885

“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.