SCHEMBL1118802

SCHEMBL1118802

NC(=O)c1csc(CN2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.48
BAZ2A Q9UIF9 1/20 0.47
GRM2 Q14416 1/20 0.42
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TBK1 Q9UHD2 1/20 0.40
DHFR P00374 1/20 0.40
EGFR P00533 1/20 0.40
CXCR4 P61073 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39

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
SCHEMBL15650319 0.96 HRH3 (0.58) HRH3SMN1; SMN2BAZ2AGRM2CYP2C9
SCHEMBL15650902 0.95 HRH3 (0.57) HRH3SMN1; SMN2BAZ2AGRM2CYP2C9
SCHEMBL1432514 0.87 HRH3 (0.62) HRH3SMN1; SMN2BAZ2ACYP2C9ALOX15
Hydrochloric Acid SCHEMBL12079608 0.86 HRH3 (0.61) HRH3SMN1; SMN2BAZ2ACYP2C9ALOX15
SCHEMBL15650519 0.85 HRH3 (0.60) HRH3ALOX15HSD17B10KDM4ETBK1
SCHEMBL17076770 0.82 HRH3 (0.44) HRH3SMN1; SMN2BAZ2AGRM2KDM4E
SCHEMBL17076769 0.82 NPC1 (0.45) HRH3BAZ2AGRM2KDM4E
SCHEMBL15652053 0.81 HRH3 (0.48) HRH3BAZ2AGRM2
SCHEMBL17076703 0.81 GRM2 (0.46) HRH3BAZ2AGRM2DHFREGFR
SCHEMBL15651586 0.81 HRH3 (0.46) HRH3BAZ2AKDM4E

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 9 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
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 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 (5 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 HRH3 542/4885SMN1; SMN2 882/4885BAZ2A 2402/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 662/4885SMN1; SMN2 835/4885BAZ2A 1900/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 542/4885SMN1; SMN2 882/4885BAZ2A 2402/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885SMN1; SMN2 986/4885BAZ2A 2182/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885SMN1; SMN2 986/4885BAZ2A 2182/4885

“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.