Sugi Predict

Sugi Predict / Compounds / SCHEMBL415754

SCHEMBL415754

SCHEMBL415754

c1cncc(-c2ccnc3[nH]ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 4/20 1.00
▸ IKBKB O14920 4/20 0.73
▸ CHUK O15111 4/20 0.73
▸ AURKB Q96GD4 3/20 0.73
▸ DYRK1B Q9Y463 3/20 0.73
▸ DYRK1A Q13627 2/20 0.73
▸ IGF1R P08069 2/20 0.73
▸ DAPK3 O43293 1/20 0.73
▸ JAK2 O60674 1/20 0.73
▸ PRKD3 O94806 1/20 0.73
▸ MAP4K4 O95819 1/20 0.73
▸ PAK4 O96013 1/20 0.73
▸ CSF1R P07333 1/20 0.73
▸ RET P07949 1/20 0.73
▸ FGFR1 P11362 1/20 0.73
▸ PRKACA P17612 1/20 0.73
▸ FLT1 P17948 1/20 0.73
▸ LTK P29376 1/20 0.73
▸ GRK5 P34947 1/20 0.73
▸ KDR P35968 1/20 0.73

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
SCHEMBL1718742 0.85 NUDT1 (0.73) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL857275 0.84 IKBKB (1.00) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL28602236 0.81 NUDT1 (0.68) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL30173320 0.81 NUDT1 (0.68) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL30173327 0.81 NUDT1 (0.68) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL12127858 0.81 IKBKB (0.93) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL2240257 0.81 IKBKB (0.74) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL2240671 0.80 AURKB (0.71) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL1717701 0.80 NUDT1 (0.69) NUDT1IKBKBCHUKAURKBDYRK1B
SCHEMBL31735064 0.79 NUDT1 (0.62) NUDT1IKBKBCHUKAURKBDYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 — — EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
EP-2395004-B1 Pyrrolo [2,3-b]pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2016-01-20 — — EP disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 — — US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 — — US disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed
WO-2006127587-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 — — WO disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US disclosed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 — — CN disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 — — US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 — — EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 — — 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 NUDT1 1213/4885IKBKB 665/4885CHUK 223/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NUDT1 2504/4885IKBKB 387/4885CHUK 210/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NUDT1 2504/4885IKBKB 387/4885CHUK 210/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NUDT1 2504/4885IKBKB 387/4885CHUK 210/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 NUDT1 2335/4885IKBKB 102/4885CHUK 32/4885

“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.