SCHEMBL9642

SCHEMBL9642

N#Cc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 1.00
BCR P11274 15/20 1.00
PDGFRB P09619 11/20 1.00
PDGFRA P16234 11/20 1.00
PRKCA P17252 7/20 1.00
SRC P12931 7/20 0.78
PRKCD Q05655 3/20 0.78
PRKD3 O94806 1/20 0.78
PRKCG P05129 1/20 0.78
PRKCB P05771 1/20 0.78
PRKCH P24723 1/20 0.78
PRKCI P41743 1/20 0.78
PRKCE Q02156 1/20 0.78
PRKCQ Q04759 1/20 0.78
PRKCZ Q05513 1/20 0.78
PRKD1 Q15139 1/20 0.78
ABL2 P42684 2/20 0.77
SYK P43405 1/20 0.63
MAPK8 P45983 1/20 0.62
MAPK9 P45984 1/20 0.62

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
SCHEMBL4896152 0.91 ABL1 (0.84) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4901694 0.91 ABL1 (0.83) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1430 0.88 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9197 0.88 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4903621 0.87 PDGFRA (0.82) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9565 0.87 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL20204862 0.87 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9763 0.87 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL10208 0.87 ABL1 (0.82) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1522 0.87 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA

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
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
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-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 ABL1 5/4885BCR 31/4885PDGFRB 40/4885
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases PRNP, PPM1D, PPM1F ABL1 901/4885BCR 1338/4885PDGFRB 2114/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F ABL1 904/4885BCR 1230/4885PDGFRB 2329/4885

“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.