SCHEMBL104697

SCHEMBL104697

CSc1nc(C#N)cn2ccnc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
NUDT1 P36639 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL13155401 0.77 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ANUDT1
SCHEMBL18263953 0.76 KMT2A (0.39) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL10282182 0.76 NUDT1 (0.41) L3MBTL1NUDT1
SCHEMBL104884 0.76 HTR2C (0.47) L3MBTL1NUDT1
SCHEMBL13693180 0.76 L3MBTL1 (0.38) L3MBTL1NUDT1
SCHEMBL19616357 0.73 L3MBTL1 (0.33) L3MBTL1NUDT1
SCHEMBL8240995 0.72 L3MBTL1 (0.35) L3MBTL1NUDT1
SCHEMBL103804 0.72 NUDT1 (0.46) L3MBTL1KMT2AHCRTR2NUDT1
SCHEMBL14507510 0.71 PTGS1 (0.40) L3MBTL1KDM4EALDH1A1XDHSLC22A12
SCHEMBL21453062 0.70 KDM4E (0.38) L3MBTL1KDM4EMEN1KMT2AALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310782-B1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-12-01 EP disclosed
EP-3303342-B1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-03-17 EP disclosed
EP-3152214-B1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-01-29 EP disclosed
US-10245264-B2 Substituted imidazo[1,2-a]pyrazines as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2019-04-02 US disclosed
US-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2018-07-12 US disclosed
US-20180147208-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 US disclosed
EP-3310782-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2018-04-25 EP disclosed
EP-3303342-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2018-04-11 EP disclosed
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 WO disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 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 (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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 L3MBTL1 4139/4885KDM4E 2800/4885MEN1 3210/4885
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, PDE3A, PDE5A L3MBTL1 4843/4885KDM4E 3779/4885MEN1 1824/4885
US-20180147208-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PRKG1, PDE2A L3MBTL1 4795/4885KDM4E 3625/4885MEN1 1998/4885
US-10245264-B2 Substituted imidazo[1,2-a]pyrazines as soluble guanylate cyclase activators GUCY1A1, GUCY1A2, PDE2A L3MBTL1 4622/4885KDM4E 3809/4885MEN1 1439/4885
US-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PRKG1, PDE2A L3MBTL1 4816/4885KDM4E 3674/4885MEN1 2019/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 L3MBTL1 3942/4885KDM4E 679/4885MEN1 2669/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A L3MBTL1 2624/4885KDM4E 857/4885MEN1 2085/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 L3MBTL1 985/4885KDM4E 1262/4885MEN1 2358/4885

“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.