SCHEMBL375194

SCHEMBL375194

CNS(=O)(=O)c1cc(F)ccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.62
ULK1 O75385 2/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IGF1R P08069 3/20 0.38
ALK Q9UM73 3/20 0.38
CDC7 O00311 2/20 0.38
PLK4 O00444 2/20 0.38
CHEK1 O14757 2/20 0.38
AURKA O14965 2/20 0.38
DCLK1 O15075 2/20 0.38
PDPK1 O15530 2/20 0.38
JAK2 O60674 2/20 0.38
ROCK2 O75116 2/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
PAK4 O96013 2/20 0.38
CHEK2 O96017 2/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38

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
SCHEMBL375360 0.83 ZAP70 (0.61) ZAP70ULK1MEN1KMT2AIGF1R
SCHEMBL29904729 0.81 ZAP70 (0.45) ZAP70MEN1KMT2AIGF1REGFR
SCHEMBL25056292 0.81 ZAP70 (0.45) ZAP70MEN1KMT2AIGF1REGFR
SCHEMBL25056574 0.77 MEN1 (0.42) ZAP70MEN1KMT2AIGF1REGFR
SCHEMBL29977264 0.77 ALK (0.42) ZAP70MEN1KMT2AIGF1RALK
SCHEMBL24179110 0.77 ALK (0.42) ZAP70MEN1KMT2AIGF1RALK
SCHEMBL25056400 0.76 MEN1 (0.43) ZAP70MEN1KMT2AIGF1RALK
SCHEMBL25638022 0.74 PIN1 (0.46) ZAP70MEN1KMT2AIGF1RABL1
SCHEMBL20085639 0.74 ALK (0.58) ZAP70IGF1RALKEGFRMET
SCHEMBL2061640 0.74 AXL (0.44) IGF1RALKAURKAEGFRMET

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-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
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
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 ZAP70 341/4885ULK1 2595/4885MEN1 4147/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885ULK1 2458/4885MEN1 4074/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS ZAP70 1465/4885ULK1 1361/4885MEN1 4489/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP ZAP70 219/4885ULK1 2014/4885MEN1 4528/4885

“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.