Sugi Predict

Sugi Predict / Compounds / SCHEMBL1789

SCHEMBL1789

SCHEMBL1789

Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 1.00
▸ BCR P11274 8/20 1.00
▸ SRC P12931 3/20 1.00
▸ EGFR P00533 1/20 0.76
▸ PRKACA P17612 1/20 0.76
▸ PRKACG P22612 1/20 0.76
▸ PRKACB P22694 1/20 0.76
▸ CDK5 Q00535 2/20 0.71
▸ CAMK2D Q13557 1/20 0.67
▸ PRKCA P17252 4/20 0.64
▸ PLK1 P53350 1/20 0.61
▸ CDK4 P11802 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CDK5R1 Q15078 1/20 0.57
▸ PIK3CG P48736 4/20 0.54
▸ PIK3CA P42336 3/20 0.54

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
SCHEMBL2944432 0.90 ABL1 (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL4386919 0.90 ABL1 (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL823915 0.89 CAMK2D (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL1465 0.86 ABL1 (1.00) ABL1BCRSRCEGFRPRKACA
SCHEMBL4899574 0.83 ABL1 (0.76) ABL1BCRSRCCDK5CAMK2D
SCHEMBL7468539 0.83 ABL1 (0.71) ABL1BCRSRCEGFRPRKACA
SCHEMBL7467324 0.83 ABL1 (0.76) ABL1BCRSRCEGFRPRKACA
SCHEMBL14530851 0.83 PLK1 (0.75) ABL1BCRSRCEGFRPRKACA
SCHEMBL5471964 0.83 ABL1 (0.71) ABL1BCRSRCEGFRPRKACA
SCHEMBL4903317 0.82 ABL1 (0.70) ABL1BCRSRCEGFRPRKACA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1721609-A2 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC Biotech AG (DE) 2006-11-15 — — EP claimed
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2006-09-28 — — US claimed
EP-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 — — EP claimed
EP-1395261-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-03-10 — — EP claimed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 — — US claimed
WO-2002093164-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-21 — — WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 — — US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 — — EP disclosed
EP-1721609-A2 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC Biotech AG (DE) 2006-11-15 — — EP disclosed
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2006-09-28 — — US disclosed
EP-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 — — EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 — — WO disclosed
EP-1395261-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-03-10 — — EP disclosed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 — — US disclosed
WO-2002093164-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-21 — — WO disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 — — EP disclosed
EP-0564409-B1 Pyrimidin derivatives and process for their preparation NOVARTIS AG (CH) 2000-01-19 — — EP disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 — — US disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 — — EP disclosed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 — — EP 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-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases PRNP, PPM1D, PPM1F ABL1 901/4885BCR 1338/4885SRC 796/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F ABL1 904/4885BCR 1230/4885SRC 724/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885BCR 2315/4885SRC 3368/4885

“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.