SCHEMBL14955802

SCHEMBL14955802

Nc1cc(-c2ncccn2)cc(-c2ncccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
HSP90AA1 P07900 2/20 0.41
MAP4K4 O95819 3/20 0.41
PI4KA P42356 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CG P48736 1/20 0.40
CYP2A6 P11509 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ASIC3 Q9UHC3 2/20 0.35
HSP90AB1 P08238 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL17546483 0.95 ADRB2 (0.41) ADRB2HSP90AA1MAP4K4PI4KAPI4KB
SCHEMBL27463194 0.87 MAOA (0.48) ADRB2MAP4K4PI4KAPI4KBPIK3CD
SCHEMBL13539329 0.86 CYP2A6 (0.48) ADRB2HSP90AA1PI4KAPI4KBPIK3CD
SCHEMBL14956567 0.84 ADRB2 (0.35) ADRB2HSP90AA1MAP4K4PI4KAPI4KB
SCHEMBL22081822 0.84 CYP3A4 (0.48) ADRB2HSP90AA1MAP4K4PI4KAPI4KB
SCHEMBL30417281 0.84 ALDH1A1 (0.50) ADRB2HSP90AA1MAP4K4PI4KAPI4KB
SCHEMBL24197130 0.80 KDM4E (0.50) ADRB2HSP90AA1MAP4K4PI4KAPI4KB
SCHEMBL2627252 0.78 MAP4K4 (0.60) ADRB2MAP4K4CLK4DYRK1AALDH1A1
SCHEMBL1414651 0.77 HSP90AA1 (0.43) HSP90AA1MAP4K4ALDH1A1KDM4ETP53
SCHEMBL5027205 0.77 CYP2A6 (0.48) ADRB2HSP90AA1MAP4K4PI4KAPI4KB

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-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9359308-B2 Pyrazine kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 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-8877760-B2 Substituted pyrazine-2-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20140309209-A1 Pyrazine Kinase Inhibitors ALEXION PHARMACEUTICALS, INC. 2014-10-16 US disclosed
EP-2782579-A1 PYRAZINE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2014-10-01 EP 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
WO-2013078466-A1 PYRAZINE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 WO disclosed
US-20130131040-A1 PYRAZINE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-23 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 ADRB2 875/4885HSP90AA1 1827/4885MAP4K4 186/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ADRB2 853/4885HSP90AA1 2677/4885MAP4K4 191/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ADRB2 875/4885HSP90AA1 1827/4885MAP4K4 186/4885
US-20130131040-A1 PYRAZINE KINASE INHIBITORS SYK, ZAP70, LCK ADRB2 4093/4885HSP90AA1 1729/4885MAP4K4 138/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADRB2 928/4885HSP90AA1 1768/4885MAP4K4 169/4885
US-20140309209-A1 Pyrazine Kinase Inhibitors SYK, ZAP70, LCK ADRB2 4093/4885HSP90AA1 1729/4885MAP4K4 138/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADRB2 928/4885HSP90AA1 1768/4885MAP4K4 169/4885

“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.