SCHEMBL14320710

SCHEMBL14320710

Nc1ccc(-c2cnn(C3CCNCC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
MAP4K3 Q8IVH8 10/20 0.53
MET P08581 2/20 0.53
GRK2 P25098 2/20 0.53
GRK5 P34947 2/20 0.53
FLT3 P36888 1/20 0.53
IRAK4 Q9NWZ3 2/20 0.52
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP3A5 P20815 2/20 0.51
CYP3A7 P24462 2/20 0.51
CYP2C19 P33261 2/20 0.51
PDK4 Q16654 2/20 0.51
CYP3A43 Q9HB55 2/20 0.51
IRAK1 P51617 1/20 0.51
NTRK1 P04629 1/20 0.51

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
SCHEMBL18519539 0.89 PIK3CD (0.56) PIM1PIM2MAP4K3METGRK2
SCHEMBL10040495 0.85 ALK (0.59) PIM1PIM2MAP4K3METIRAK4
SCHEMBL15942449 0.85 MAP4K3 (0.58) PIM1PIM2MAP4K3METIRAK4
SCHEMBL3126749 0.85 ALK (0.59) PIM1PIM2MAP4K3IRAK4CHRNB2
SCHEMBL2300261 0.84 CHRNB2 (0.66) MAP4K3METGRK5IRAK4CHRNB2
SCHEMBL6726843 0.84 IRAK4 (0.58) PIM1PIM2MAP4K3IRAK4IRAK1
SCHEMBL29631525 0.84 IRAK4 (0.58) PIM1PIM2MAP4K3IRAK4IRAK1
Hydrochloric Acid SCHEMBL20135201 0.84 ALK (0.58) PIM1PIM2MAP4K3IRAK4CHRNB2
SCHEMBL15324788 0.81 IRAK4 (0.52) PIM1PIM2MAP4K3IRAK4CHRNB2
SCHEMBL14638436 0.81 ALK (0.65) PIM1PIM2MAP4K3GRK2GRK5

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 14 patents. 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
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
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PIM1 442/4885PIM2 389/4885MAP4K3 180/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK PIM1 382/4885PIM2 356/4885MAP4K3 148/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PIM1 442/4885PIM2 389/4885MAP4K3 180/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK PIM1 442/4885PIM2 389/4885MAP4K3 180/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 PIM1 430/4885PIM2 331/4885MAP4K3 203/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PIM1 489/4885PIM2 422/4885MAP4K3 161/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PIM1 489/4885PIM2 422/4885MAP4K3 161/4885

“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.