SCHEMBL1735772

SCHEMBL1735772

O=C(Cc1cnc(Nc2ncnn3cc(OCCCN4CCC(CO)CC4)cc23)s1)Nc1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.70
EGFR P00533 1/20 0.70
IGF1R P08069 1/20 0.70
FGFR1 P11362 1/20 0.70
SRC P12931 1/20 0.70
FGFR2 P21802 1/20 0.70
FGFR4 P22455 1/20 0.70
FGFR3 P22607 1/20 0.70
CDK2 P24941 1/20 0.70
KDR P35968 1/20 0.70
CSK P41240 1/20 0.70
JAK3 P52333 1/20 0.70
PTK2 Q05397 1/20 0.70
AURKA O14965 19/20 0.52

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
SCHEMBL1734683 0.90 AURKA (0.63) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1734667 0.89 AURKB (0.71) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1734663 0.87 AURKB (0.73) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5048903 0.85 AURKB (0.80) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1733752 0.85 AURKB (0.66) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL31060166 0.83 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5045154 0.83 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1734484 0.82 AURKB (0.62) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1734664 0.81 AURKB (0.61) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1734671 0.80 AURKB (0.60) AURKBEGFRIGF1RFGFR1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899345-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-16 EP claimed
US-7402582-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-22 US claimed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
EP-1899345-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-16 EP disclosed
US-7402582-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-22 US disclosed
US-7402582-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-22 US disclosed
US-7402582-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-22 US disclosed
US-20070004732-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004732-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004732-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 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 (5 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AURKB 939/4885EGFR 965/4885IGF1R 2860/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 AURKB 939/4885EGFR 965/4885IGF1R 2860/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AURKB 939/4885EGFR 965/4885IGF1R 2860/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AURKB 939/4885EGFR 965/4885IGF1R 2860/4885
US-20070004732-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith MAP3K20, PRKDC, MAP3K2 AURKB 342/4885EGFR 1582/4885IGF1R 1624/4885

“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.