Sugi Predict

Sugi Predict / Compounds / SCHEMBL14331900

SCHEMBL14331900

SCHEMBL14331900

O=[N+]([O-])c1c[nH]c2ncc(Br)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.54
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MET P08581 1/20 0.32
▸ THRB P10828 1/20 0.31

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
SCHEMBL31325654 1.00 MAPK1 (0.54) MAPK1RAB9AMAPTMEN1KMT2A
SCHEMBL14375672 0.81 RAB9A (0.35) MAPK1RAB9AMAPTMEN1KMT2A
SCHEMBL544726 0.74 MAPK1 (0.47) MAPK1RAB9AMAPTMEN1KMT2A
SCHEMBL30166996 0.72 PDE10A (0.37) MAPK1RAB9AMAPTMEN1KMT2A
SCHEMBL23612096 0.72 PDE10A (0.37) MAPK1RAB9AMAPTMEN1KMT2A
SCHEMBL16533894 0.71 MAPT (0.36) MAPK1RAB9AMAPTMEN1KMT2A
SCHEMBL7114099 0.71 DYRK1A (0.48) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL2378181 0.70 MAPK1 (0.62) MAPK1
SCHEMBL25257114 0.70 MAPK1 (0.62) MAPK1
SCHEMBL29488969 0.70 MAPK1 (1.00) MAPK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279205-A1 NOVEL BENZIMIDAZOLE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2024-08-22 — — US disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 — — CN disclosed
EP-4129406-A1 NOVEL BENZIMIDAZOLE DERIVATIVE Carna Biosciences, Inc. (JP) 2023-02-08 — — EP disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 — — US disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 — — US disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 — — US disclosed
US-8822469-B2 Pyrrolo[2,3-B]pyrazines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-8822469-B2 Pyrrolo[2,3-B]pyrazines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-8822469-B2 Pyrrolo[2,3-B]pyrazines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
EP-2723745-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2014-04-30 — — EP disclosed
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — US disclosed
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — US disclosed
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — US disclosed
US-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 — — US disclosed
US-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 — — US disclosed
US-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 — — US disclosed
WO-2012178123-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-27 — — WO disclosed
WO-2012178123-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-27 — — WO disclosed
WO-2012178125-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-27 — — WO disclosed
WO-2012178125-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-27 — — 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 (3 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-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885RAB9A 3057/4885MAPT 2919/4885
US-20240279205-A1 NOVEL BENZIMIDAZOLE DERIVATIVE STING1, IRF3, TBK1 MAPK1 110/4885RAB9A 620/4885MAPT 4782/4885
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885RAB9A 3057/4885MAPT 2919/4885

“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.