SCHEMBL2961101

SCHEMBL2961101

Nc1ccc(CN2CCNCC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1H2 P55055 1/20 0.44
ACHE P22303 2/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 2/20 0.43
CYP1A2 P05177 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
APOBEC3A P31941 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SOS1 Q07889 3/20 0.42
ADRA2B P18089 1/20 0.41
CXCR3 P49682 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL16620680 0.85 KDM4E (0.62) KDM4ESMN1; SMN2NR1H2ACHEADRA2B
SCHEMBL13495620 0.85 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2NR1H2ACHEADRA2B
SCHEMBL2924537 0.83 KDM4E (0.70) KDM4ESMN1; SMN2ACHELMNACHRM2
Hydrochloric Acid SCHEMBL15568255 0.82 KDM4E (0.68) KDM4ESMN1; SMN2ACHELMNACHRM2
Hydrochloric Acid SCHEMBL1238937 0.82 KDM4E (0.68) KDM4ESMN1; SMN2ACHELMNACHRM2
SCHEMBL15542251 0.81 NR1H2 (0.67) KDM4ESMN1; SMN2NR1H2ACHELMNA
SCHEMBL626141 0.81 OPRM1 (0.49) KDM4ESMN1; SMN2LMNACHRM2CYP1A2
SCHEMBL922214 0.81 CYP2A13 (0.61) KDM4ESMN1; SMN2NR1H2ACHEALDH1A1
SCHEMBL20971765 0.81 CXCR3 (0.57) KDM4ESMN1; SMN2SOS1CXCR3
SCHEMBL30309475 0.81 NR1H2 (0.51) KDM4ESMN1; SMN2NR1H2ACHEADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
EP-2658543-B1 PYRUVATE KINASE M2 (PKM2) ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2019-02-20 EP 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-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL 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
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
CN-1933839-A Compounds and methods of use AMGEN INC (US) 2007-03-21 CN 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 (8 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 KDM4E 1662/4885SMN1; SMN2 882/4885NR1H2 2170/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1409/4885SMN1; SMN2 835/4885NR1H2 3271/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885SMN1; SMN2 882/4885NR1H2 2170/4885
US-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 KDM4E 2929/4885SMN1; SMN2 4848/4885NR1H2 1693/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1662/4885SMN1; SMN2 882/4885NR1H2 2170/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 KDM4E 1843/4885SMN1; SMN2 609/4885NR1H2 3588/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885SMN1; SMN2 986/4885NR1H2 2183/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885SMN1; SMN2 986/4885NR1H2 2183/4885

“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.