Sugi Predict

Sugi Predict / Compounds / SCHEMBL2277209

SCHEMBL2277209

SCHEMBL2277209

O=C(O)c1c[nH]c2nccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.48
▸ KDM4C Q9H3R0 3/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ TET2 Q6N021 2/20 0.41
▸ TET1 Q8NFU7 2/20 0.41
▸ MAP2K1 Q02750 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ KDM4E B2RXH2 7/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ KDM3B Q7LBC6 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HIF1AN Q9NWT6 1/20 0.36

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
SCHEMBL14331904 0.82 MAPK1 (0.47) MAPK1KDM4CKDM5AMAP2K1CAMKK2
Hydrochloric Acid SCHEMBL28132650 0.81 MAPK1 (0.46) MAPK1KDM4CKDM5AMAP2K1CAMKK2
SCHEMBL28133509 0.79 MAP2K1 (0.59) MAPK1MAP2K1KDM4EALDH1A1
SCHEMBL2354692 0.78 MAPK1 (0.43) MAPK1MAP2K1KDM4E
SCHEMBL28133368 0.77 EGLN1 (0.51) KDM4EL3MBTL1EGLN1ALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL28133522 0.77 L3MBTL1 (0.47) MAPK1MAP2K1CAMKK2KDM4EL3MBTL1
SCHEMBL2283210 0.75 SYK (0.56) —
SCHEMBL653401 0.75 JAK3 (0.58) —
SCHEMBL28133338 0.75 MAP2K1 (0.44) MAPK1MAP2K1
SCHEMBL28132506 0.75 MAPK1 (0.41) MAPK1KDM5AMAP2K1ADORA2A

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
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 — — CN claimed
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof PFIZER INC. (US) 2020-07-07 — — US disclosed
CN-106061973-B Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide 辉瑞公司 2019-07-09 — — CN disclosed
CN-105777756-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-03-01 — — CN disclosed
US-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF PFIZER INC. (US) 2019-01-03 — — US disclosed
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 — — CN disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 — — EP disclosed
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 — — CN disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — WO disclosed
CN-106061973-A Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide 辉瑞公司 2016-10-26 — — CN disclosed
CN-104370909-A Novel tricyclic compounds ABBOTT LAB 2015-02-25 — — CN disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 — — EP disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 — — US disclosed
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 — — CN disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 — — US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 — — 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 (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-20190002466-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL, PYRROLO[2,3-B]PYRIDINYL ACRYLAMIDES AND EPOXIDES THEREOF JAK2, JAK3, JAK1 MAPK1 309/4885KDM4C 1375/4885KDM5A 873/4885
US-10703756-B2 Pyrrolo[2,3-D]pyrimidinyl, pyrrolo[2,3-B]pyrazinyl, pyrrolo[2,3-B]pyridinyl acrylamides and epoxides thereof JAK2, JAK3, JAK1 MAPK1 309/4885KDM4C 1375/4885KDM5A 873/4885
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 MAPK1 386/4885KDM4C 1277/4885KDM5A 410/4885
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S MAPK1 3589/4885KDM4C 2532/4885KDM5A 1569/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 MAPK1 438/4885KDM4C 1465/4885KDM5A 546/4885

“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.