SCHEMBL13280171

SCHEMBL13280171

Nc1ccc(C(=O)N2CCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
PTK2 Q05397 1/20 0.46
GNE Q9Y223 1/20 0.46
HRH3 Q9Y5N1 7/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 5/20 0.43
CCR8 P51685 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43

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
SCHEMBL4063719 0.97 L3MBTL1 (0.51) SMN1; SMN2L3MBTL1L3MBTL3PTK2GNE
SCHEMBL1758990 0.95 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1L3MBTL3PTK2GNE
SCHEMBL29618361 0.95 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1L3MBTL3PTK2GNE
SCHEMBL3398915 0.85 CCR8 (0.48) SMN1; SMN2L3MBTL1TDP1KCNH2CCR8
SCHEMBL20750490 0.85 CCNC (0.47) SMN1; SMN2L3MBTL1L3MBTL3CCNCCDK8
SCHEMBL3227298 0.85 SMN1; SMN2 (0.70) SMN1; SMN2CCNCCDK8KCNH2CCR8
SCHEMBL30917892 0.82 HRH3 (0.60) SMN1; SMN2L3MBTL1HRH3TDP1KCNH2
SCHEMBL30917885 0.82 TDP1 (0.50) SMN1; SMN2L3MBTL1HRH3TDP1KCNH2
SCHEMBL1922683 0.81 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1L3MBTL3PTK2GNE
SCHEMBL3232177 0.80 IRAK4 (0.42) SMN1; SMN2L3MBTL1L3MBTL3TDP1KCNH2

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 13 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-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US 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
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 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
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 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 (6 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 SMN1; SMN2 882/4885L3MBTL1 457/4885L3MBTL3 943/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 835/4885L3MBTL1 505/4885L3MBTL3 697/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 882/4885L3MBTL1 457/4885L3MBTL3 943/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 SMN1; SMN2 3119/4885L3MBTL1 2855/4885L3MBTL3 3420/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885L3MBTL1 485/4885L3MBTL3 891/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885L3MBTL1 485/4885L3MBTL3 891/4885

“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.