SCHEMBL3132401

SCHEMBL3132401

Cc1cc(Nc2cc3c(cn2)CN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C(=O)N3C)n(C)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.79
MAP4K2 Q12851 16/20 0.79
MAPK3 P27361 1/20 0.79
ABL1 P00519 4/20 0.65
BMX P51813 4/20 0.65
LCK P06239 1/20 0.65
FES P07332 1/20 0.65
RET P07949 1/20 0.65
PDGFRB P09619 1/20 0.65
KIT P10721 1/20 0.65
FGFR1 P11362 1/20 0.65
SRC P12931 1/20 0.65
PDGFRA P16234 1/20 0.65
FLT1 P17948 1/20 0.65
FGFR3 P22607 1/20 0.65
EPHA3 P29320 1/20 0.65
KDR P35968 1/20 0.65
EPHB4 P54760 1/20 0.65
TEK Q02763 1/20 0.65
KARS1 Q15046 1/20 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
SCHEMBL26456798 0.91 TNK2 (0.77) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL14183086 0.90 TNK2 (0.65) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL3130033 0.89 TNK2 (0.70) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL3139207 0.89 TNK2 (0.78) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL3135215 0.88 TNK2 (1.00) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL29468185 0.88 TNK2 (1.00) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL3136742 0.88 TNK2 (0.68) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL3143790 0.87 TNK2 (0.69) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL3139743 0.86 TNK2 (0.67) TNK2MAP4K2MAPK3ABL1BMX
SCHEMBL3140753 0.86 TNK2 (0.69) TNK2MAP4K2MAPK3ABL1BMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US claimed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US claimed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US claimed
CN-1860118-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-11-08 CN claimed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 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
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US disclosed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 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 (6 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 TNK2 1638/4885MAP4K2 1112/4885MAPK3 1065/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 TNK2 1638/4885MAP4K2 1112/4885MAPK3 1065/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TNK2 1638/4885MAP4K2 1112/4885MAPK3 1065/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TNK2 1638/4885MAP4K2 1112/4885MAPK3 1065/4885
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors BMX, FES, FRK TNK2 203/4885MAP4K2 37/4885MAPK3 136/4885
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BMX, FES, FRK TNK2 203/4885MAP4K2 37/4885MAPK3 136/4885

“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.