SCHEMBL9485

SCHEMBL9485

CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 1.00
BCR P11274 16/20 1.00
PDGFRA P16234 7/20 1.00
PDGFRB P09619 6/20 1.00
SRC P12931 5/20 1.00
SYK P43405 2/20 1.00
KIT P10721 8/20 0.81
ABL2 P42684 5/20 0.81
PLK4 O00444 1/20 0.81
DDX3X O00571 1/20 0.81
GAK O14976 1/20 0.81
SLC22A2 O15244 1/20 0.81
MAPK13 O15264 1/20 0.81
CA12 O43570 1/20 0.81
SLC22A3 O75751 1/20 0.81
ABCB11 O95342 1/20 0.81
EGFR P00533 1/20 0.81
CA1 P00915 1/20 0.81
CA2 P00918 1/20 0.81
LMNA P02545 1/20 0.81

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
SCHEMBL3866664 0.97 ABL1 (0.94) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL8261009 0.97 ABL1 (0.94) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL3867814 0.94 ABL1 (0.88) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL4897571 0.92 ABL1 (0.86) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL4902292 0.92 ABL1 (0.86) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL26358567 0.92 ABL1 (0.85) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL3858318 0.92 ABL1 (0.84) ABL1BCRPDGFRAPDGFRBSRC
SCHEMBL13038805 0.90 ABL1 (0.82) ABL1BCRPDGFRAPDGFRBSRC
Imatinib SCHEMBL29351601 0.90 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC
Imatinib SCHEMBL2236091 0.90 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBSRC

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 39 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
US-20230302144-A1 Porphyrin Compounds and Compositions Useful for Treating Cancer ONCOSELECT THERAPEUTICS, LLC (US) 2023-09-28 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
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
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-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases PRNP, PPM1D, PPM1F ABL1 901/4885BCR 1338/4885PDGFRA 2586/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F ABL1 904/4885BCR 1230/4885PDGFRA 2913/4885
US-20230302144-A1 Porphyrin Compounds and Compositions Useful for Treating Cancer KIT, HCCS, PPIF ABL1 692/4885BCR 277/4885PDGFRA 2688/4885

“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.