SCHEMBL14882280

SCHEMBL14882280

Nc1cnc2ccc(N3CC[C@H](F)C3)nn12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ DYRK3 O43781 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ AAK1 Q2M2I8 4/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ MAP3K12 Q12852 4/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14881665 1.00 PIM1 (0.42) PIM1IRAK4DYRK3CCNT1CDK9
SCHEMBL23408640 0.84 PIM1 (0.40) PIM1IRAK4DYRK3CCNT1CDK9
SCHEMBL21765939 0.83 PDE10A (0.44) PIM1IRAK4DYRK3CCNT1CDK9
SCHEMBL21765944 0.81 IRAK4 (0.48) PIM1IRAK4AAK1
SCHEMBL22084151 0.81 MAPT (0.39) PIM1IRAK4DYRK3CCNT1CDK9
SCHEMBL18654880 0.81 IRAK4 (0.48) PIM1IRAK4AAK1
SCHEMBL18654925 0.81 IRAK4 (0.48) PIM1IRAK4AAK1
SCHEMBL23408576 0.80 PIM1 (0.40) PIM1IRAK4DYRK3CCNT1CDK9
SCHEMBL22083655 0.79 HTT (0.55) PIM1DYRK3CCNT1CDK9DYRK1A
SCHEMBL14881490 0.79 IRAK4 (0.47) PIM1IRAK4DYRK3CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809671-B1 IMIDAZO [4, 5 - B]PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON INC (US) 2016-01-13 — — EP claimed
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders CEPHALON, INC. 2014-11-27 — — US claimed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-9238656-B2 Imidazo[4,5-b]pyridine derivatives as ALK and JAK modulators for the treatment of proliferative disorders CEPHALON, INC. (US) 2016-01-19 — — US disclosed
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders CEPHALON, INC. 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
EP-2768509-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2014-08-27 — — EP disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — 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-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders JAK1, ALK, JAK2 PIM1 25/4885IRAK4 69/4885DYRK3 783/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM1 4551/4885IRAK4 3168/4885DYRK3 2996/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM1 4551/4885IRAK4 3168/4885DYRK3 2996/4885

“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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