SCHEMBL375824

SCHEMBL375824

CNS(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.46
ALK Q9UM73 3/20 0.46
INSR P06213 2/20 0.46
LRRK2 Q5S007 2/20 0.46
CDC7 O00311 2/20 0.46
ROCK2 O75116 2/20 0.46
MAP4K4 O95819 2/20 0.46
PRKACA P17612 2/20 0.46
CDK7 P50613 2/20 0.46
CDK9 P50750 2/20 0.46
HIPK2 Q9H2X6 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
JAK2 O60674 2/20 0.46
NTRK1 P04629 2/20 0.46
TYK2 P29597 2/20 0.46
KDR P35968 2/20 0.46
JAK3 P52333 2/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
PLK4 O00444 1/20 0.46

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
SCHEMBL1491763 0.85 ALK (0.52) ALKINSRCDK7CDK9NTRK1
SCHEMBL29904751 0.84 CDK7 (0.61) PTK2ALKINSRLRRK2CDC7
SCHEMBL375003 0.84 CDK7 (0.61) PTK2ALKINSRLRRK2CDC7
SCHEMBL14735674 0.82 ALK (0.47) PTK2ALKINSRLRRK2CDC7
SCHEMBL12856163 0.82 ALK (0.51) PTK2ALKINSRLRRK2CDC7
SCHEMBL375360 0.82 ZAP70 (0.61) PTK2ALKINSRLRRK2CDC7
SCHEMBL12780295 0.82 ALK (0.48) PTK2ALKINSRLRRK2CDC7
SCHEMBL29832770 0.81 PTK2 (0.52) PTK2LRRK2EGFRMAPK3ULK1
SCHEMBL21847031 0.81 PTK2 (0.52) PTK2LRRK2EGFRMAPK3ULK1
SCHEMBL1232258 0.80 MAPK10 (0.42) PTK2ALKINSRLRRK2CDC7

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
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 disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
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 disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
EP-2287156-A1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders Novartis AG (CH) 2011-02-23 EP disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 US disclosed
EP-1606265-B1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-02-02 EP disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD PTK2 3952/4885ALK 3384/4885INSR 3201/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD PTK2 4026/4885ALK 3200/4885INSR 2899/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS PTK2 4399/4885ALK 1887/4885INSR 1913/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP PTK2 3869/4885ALK 2563/4885INSR 2447/4885

“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.