SCHEMBL846536

SCHEMBL846536

Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 1.00
KIT P10721 13/20 1.00
BCR P11274 12/20 1.00
LRRK2 Q5S007 1/20 1.00
PDGFRA P16234 9/20 0.84
ABL2 P42684 4/20 0.84
PDGFRB P09619 3/20 0.84
PLK4 O00444 1/20 0.84
DDX3X O00571 1/20 0.84
GAK O14976 1/20 0.84
SLC22A2 O15244 1/20 0.84
MAPK13 O15264 1/20 0.84
CA12 O43570 1/20 0.84
SLC22A3 O75751 1/20 0.84
ABCB11 O95342 1/20 0.84
EGFR P00533 1/20 0.84
CA1 P00915 1/20 0.84
CA2 P00918 1/20 0.84
LMNA P02545 1/20 0.84
ALB P02768 1/20 0.84

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
SCHEMBL29410182 1.00 ABL1 (1.00) ABL1KITBCRLRRK2PDGFRA
SCHEMBL4405514 0.97 ABL1 (1.00) ABL1KITBCRLRRK2PDGFRA
SCHEMBL3064834 0.95 ABL1 (0.90) ABL1KITBCRLRRK2PDGFRA
SCHEMBL3264382 0.95 ABL1 (0.90) ABL1KITBCRLRRK2PDGFRA
SCHEMBL31553098 0.95 ABL1 (0.94) ABL1KITBCRLRRK2PDGFRA
SCHEMBL19586397 0.94 ABL1 (0.89) ABL1KITBCRLRRK2PDGFRA
SCHEMBL4394539 0.93 ABL1 (0.88) ABL1KITBCRLRRK2PDGFRA
SCHEMBL3058299 0.93 ABL1 (0.86) ABL1KITBCRLRRK2PDGFRA
SCHEMBL12127861 0.92 ABL1 (0.90) ABL1KITBCRLRRK2PDGFRA
SCHEMBL4399517 0.92 ABL1 (0.87) ABL1KITBCRLRRK2PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 CN claimed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN claimed
CN-110559299-A composition containing pyridyl pyrimidinamine compound and application thereof 黄泳华 2019-12-13 CN claimed
CN-110559443-A composition comprising histamine release-promoting substance and pyridylpyrimidine amine compound, and oral solid preparation containing the same 黄泳华 2019-12-13 CN claimed
US-20170007605-A1 Method of Optimizing the Treatment of Philadelphia-positive Leukemia with Abl Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2017-01-12 US claimed
WO-2011095835-A1 HIGHLY PURE IMATINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-08-11 WO claimed
EP-2251042-A2 Method of optimizing the treatment of philadelphia-positive leukemia with abl tyrosine kinase inhibitors Novartis AG (CH) 2010-11-17 EP claimed
EP-1322634-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2009-12-16 EP claimed
US-20090281113-A1 METHOD OF OPTIMIZING THE TREATMENT OF PHILADELPHIA-POSITIVE LEUKEMIA WITH ABL TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-12 US claimed
EP-2068938-A2 METHOD OF OPTIMIZING THE TREATMENT OF PHILADELPHIA-POSITIVE LEUKEMIA WITH ABL TYROSINE KINASE INHIBITORS Novartis Ag (CH) 2009-06-17 EP claimed
US-20080214445-A1 Method of Treating a Solid Tumor Disease Comprising Administering a Combination Comprising Imatinib and an Inhibitor of an Efflux Pump Active at the Blood Brain Barrier or Demethyl Imatinib NOVARTIS AG (CH) 2008-09-04 US claimed
EP-1951243-A2 TREATMENT OF SOLID TUMOR DISEASE WITH COMBINATIONS COMPRISING IMATINIB AND AN EFFLUX PUMP INHIBITOR Novartis AG (CH) 2008-08-06 EP claimed
WO-2008036792-A2 METHOD OF OPTIMIZING THE TREATMENT OF PHILADELPHIA-POSITIVE LEUKEMIA WITH ABL TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-27 WO claimed
WO-2006136391-A2 TREATMENT OF SOLID TUMOR DISEASE WITH COMBINATIONS COMPRISING IMATINIB AND AN EFFLUX PUMP INHIBITOR NOVARTIS AG (CH) 2006-12-28 WO claimed
US-7081532-B2 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2006-07-25 US claimed
US-20040102453-A1 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2004-05-27 US claimed
EP-1322634-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES Novartis AG (CH) 2003-07-02 EP claimed
WO-2002022597-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2002-03-21 WO claimed
CN-119816297-A Parenteral formulation of imatinib 阿尔托润吉有限公司 2025-04-11 CN disclosed
WO-2002022597-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2002-03-21 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 (4 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-20040102453-A1 N-phenyl-2-pyrimidine-amine derivatives NUDT1, PNP, TYMP ABL1 68/4885KIT 352/4885BCR 4165/4885
US-20170007605-A1 Method of Optimizing the Treatment of Philadelphia-positive Leukemia with Abl Tyrosine Kinase Inhibitors ABL1, BCR, MPL ABL1 1/4885KIT 73/4885BCR 2/4885
US-20090281113-A1 METHOD OF OPTIMIZING THE TREATMENT OF PHILADELPHIA-POSITIVE LEUKEMIA WITH ABL TYROSINE KINASE INHIBITORS ABL1, BCR, MPL ABL1 1/4885KIT 77/4885BCR 2/4885
US-20080214445-A1 Method of Treating a Solid Tumor Disease Comprising Administering a Combination Comprising Imatinib and an Inhibitor of an Efflux Pump Active at the Blood Brain Barrier or Demethyl Imatinib ABL1, TPMT, ABCB1 ABL1 1/4885KIT 149/4885BCR 239/4885

“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.