SCHEMBL375524

SCHEMBL375524

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 1.00
INSR P06213 4/20 1.00
MAPK9 P45984 3/20 1.00
MAPK10 P53779 3/20 1.00
IGF1R P08069 3/20 1.00
ALK Q9UM73 3/20 1.00
LRRK2 Q5S007 3/20 1.00
MAPK8 P45983 2/20 1.00
PTK2B Q14289 2/20 1.00
EGFR P00533 2/20 1.00
CDC7 O00311 1/20 1.00
PLK4 O00444 1/20 1.00
CHEK1 O14757 1/20 1.00
AURKA O14965 1/20 1.00
DCLK1 O15075 1/20 1.00
PDPK1 O15530 1/20 1.00
DAPK3 O43293 1/20 1.00
DYRK3 O43781 1/20 1.00
JAK2 O60674 1/20 1.00
PRKD3 O94806 1/20 1.00

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
SCHEMBL29378728 1.00 PTK2 (1.00) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL29730430 1.00 PTK2 (1.00) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL17544456 0.97 PTK2 (0.94) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL31174591 0.93 ALK (0.87) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL19654204 0.92 PTK2 (0.85) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL375436 0.92 MAPK9 (0.86) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL17547465 0.91 ULK1 (1.00) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL12627645 0.91 PTK2 (0.84) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL31276403 0.91 ALK (0.84) PTK2INSRMAPK9MAPK10IGF1R
SCHEMBL4089439 0.90 ALK (0.81) PTK2INSRMAPK9MAPK10IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150071918-A1 PEPTIDES FOR THE TREATMENT OF CANCER UNIVERSITY OF SOUTH FLORIDA 2015-03-12 US claimed
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US claimed
WO-2013170066-A1 PEPTIDES FOR THE TREATMENT OF CANCER H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2013-11-14 WO claimed
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP claimed
EP-2491923-A2 Combinations of therapeutic agents for treating cancer Novartis AG (CH) 2012-08-29 EP claimed
JP-4796487-B2 2011-10-19 JP claimed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 US claimed
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 EP claimed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US claimed
US-20100069458-A1 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2010-03-18 US claimed
EP-2120900-A2 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER Novartis AG (CH) 2009-11-25 EP claimed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 US claimed
WO-2008100985-A2 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2008-08-21 WO claimed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US claimed
JP-2007502260-A 2007-02-08 JP claimed
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-11-02 US claimed
EP-1660458-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2006-05-31 EP claimed
EP-1606265-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2005-12-21 EP claimed
WO-2005016894-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2005-02-24 WO claimed
WO-2004080980-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2004-09-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 PTK2 11/4885INSR 2506/4885MAPK9 314/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 PTK2 11/4885INSR 2506/4885MAPK9 314/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD PTK2 4026/4885INSR 2899/4885MAPK9 2917/4885
US-20100069458-A1 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER MCL1, BAD, LPXN PTK2 3533/4885INSR 2356/4885MAPK9 612/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 PTK2 15/4885INSR 3338/4885MAPK9 486/4885
US-20150071918-A1 PEPTIDES FOR THE TREATMENT OF CANCER CD44, PTK2, SDC1 PTK2 2/4885INSR 2817/4885MAPK9 115/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP PTK2 3869/4885INSR 2447/4885MAPK9 2623/4885

“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.