SCHEMBL10191777

SCHEMBL10191777

Nc1cnn(C2CCN(C3CCOCC3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 11/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ MET P08581 2/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL1422774 0.91 MET (0.41) IRAK4KDM5AMETMKNK1LRRK2
SCHEMBL16975513 0.89 IRAK4 (0.41) IRAK4KDM5AJAK1
SCHEMBL30426320 0.89 IRAK4 (0.41) IRAK4KDM5AJAK1
SCHEMBL15134755 0.89 KDM5A (0.41) KDM5ALRRK2
Hydrochloric Acid SCHEMBL16593449 0.89 MET (0.42) IRAK4KDM5AMETMKNK1LRRK2
Hydrochloric Acid SCHEMBL15875304 0.89 MET (0.42) IRAK4KDM5AMETMKNK1LRRK2
SCHEMBL17076755 0.86 LRRK2 (0.42) KDM5ALRRK2
SCHEMBL15244353 0.83 ALOX15 (0.45) KDM5AMET
SCHEMBL1703399 0.81 LRRK2 (0.40) IRAK4KDM5AMETMKNK1LRRK2
SCHEMBL1703270 0.81 LRRK2 (0.40) IRAK4KDM5AMETMKNK1LRRK2

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
US-20250019382-A1 NOVEL INHIBITORS OF CYCLIN-DEPENDENT KINASES ORIGENIS GMBH (DE) 2025-01-16 — — US disclosed
EP-4436970-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS Origenis GmbH (DE) 2024-10-02 — — EP disclosed
CN-118284610-A Pyrazolotriazine derivatives as CDK9 inhibitors 原真股份有限公司 2024-07-02 — — CN disclosed
WO-2023094310-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS ORIGENIS GMBH (DE) 2023-06-01 — — WO disclosed
WO-2023094310-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS ORIGENIS GMBH (DE) 2023-06-01 — — WO disclosed
EP-2821402-B1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2019-08-21 — — EP disclosed
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 — — US disclosed
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 — — US disclosed
US-9464077-B2 Nitrogen-containing aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-10-11 — — US disclosed
US-9464077-B2 Nitrogen-containing aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-10-11 — — US disclosed
EP-2821402-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-01-07 — — EP disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 — — US disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 — — US disclosed
WO-2013129369-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND アステラス製薬株式会社 (JP) 2013-09-06 — — WO disclosed
WO-2012010704-A1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 — — 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 (3 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-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 IRAK4 1204/4885KDM5A 465/4885MET 59/4885
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 IRAK4 1167/4885KDM5A 411/4885MET 48/4885
US-20250019382-A1 NOVEL INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK9, CDK2, CDK19 IRAK4 970/4885KDM5A 2687/4885MET 2201/4885

“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.

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