SCHEMBL9666

SCHEMBL9666

COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 12/20 1.00
ABL1 P00519 11/20 1.00
BCR P11274 8/20 1.00
PDGFRB P09619 7/20 1.00
PRKCA P17252 5/20 1.00
EGFR P00533 3/20 0.79
JAK3 P52333 1/20 0.66
BTK Q06187 1/20 0.66
ITK Q08881 1/20 0.66
KIT P10721 4/20 0.65

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
SCHEMBL8282151 0.96 ABL1 (0.92) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL4896195 0.91 ABL1 (0.84) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL4892567 0.89 ABL1 (0.84) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL4903174 0.89 ABL1 (0.79) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL27841120 0.88 ABL1 (0.79) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL9338 0.88 ABL1 (1.00) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL3219529 0.87 ABL1 (0.77) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL4900131 0.87 PDGFRA (0.77) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL4901273 0.86 ABL1 (0.76) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13492488 0.86 ABL1 (0.76) PDGFRAABL1BCRPDGFRBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110906-A Novel use of conjugates 中山万汉制药有限公司 2020-12-22 CN claimed
CN-112079821-A Conjugate formed by orlistat and phenylaminopyrimidine compound and preparation method and application thereof 中山万汉制药有限公司 2020-12-15 CN claimed
CN-112043708-A Anti-hepatitis B use of conjugates 中山万汉制药有限公司 2020-12-08 CN claimed
EP-1721609-A2 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC Biotech AG (DE) 2006-11-15 EP claimed
EP-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 EP claimed
WO-2005065074-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-07-21 WO claimed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 US claimed
EP-0564409-B1 Pyrimidin derivatives and process for their preparation NOVARTIS AG (CH) 2000-01-19 EP claimed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US claimed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 EP claimed
CN-112110906-A Novel use of conjugates 中山万汉制药有限公司 2020-12-22 CN disclosed
CN-112079821-A Conjugate formed by orlistat and phenylaminopyrimidine compound and preparation method and application thereof 中山万汉制药有限公司 2020-12-15 CN disclosed
CN-112043708-A Anti-hepatitis B use of conjugates 中山万汉制药有限公司 2020-12-08 CN disclosed
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US disclosed
WO-2005051229-A2 DEVICES DELIVERING THERAPEUTIC AGENTS AND METHODS REGARDING THE SAME AVANTEC VASCULAR CORPORATION (US) 2005-06-09 WO disclosed
US-20050125054-A1 Devices delivering therapeutic agents and methods regarding the same AVANTEC VASCULAR CORPORATION (US) 2005-06-09 US disclosed
WO-2004010900-A1 DEVICES DELIVERING THERAPEUTIC AGENTS AND METHODS REGARDING THE SAME AVANTEC VASCULAR CORPORATION (US) 2004-02-05 WO disclosed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 US disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 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 (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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 PDGFRA 44/4885ABL1 5/4885BCR 31/4885
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases PRNP, PPM1D, PPM1F PDGFRA 2586/4885ABL1 901/4885BCR 1338/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 PDGFRA 44/4885ABL1 5/4885BCR 31/4885

“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.