Nilotinib

Nilotinib

SCHEMBL1124112

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.O=S(=O)(O)O

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BCR

The experimentally established mechanism targets of Nilotinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 16/20 0.95
BCR known ✓ P11274 8/20 0.95
KIT P10721 11/20 0.95
LDLR P01130 8/20 0.95
PCSK9 Q8NBP7 8/20 0.95
PDGFRB P09619 6/20 0.95
LCK P06239 4/20 0.95
LYN P07948 4/20 0.95
PDGFRA P16234 4/20 0.95
FLT3 P36888 4/20 0.95
DDR2 Q16832 4/20 0.95
ADORA3 P0DMS8 2/20 0.95
SRC P12931 2/20 0.95
EPHB6 O15197 1/20 0.95
CA12 O43570 1/20 0.95
CACNA1F O60840 1/20 0.95
SLC22A3 O75751 1/20 0.95
STK10 O94804 1/20 0.95
CA1 P00915 1/20 0.95
CA2 P00918 1/20 0.95

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
Nilotinib SCHEMBL2099740 0.99 ABL1 (0.95) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL29366964 0.97 ABL1 (1.00) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL7901 0.97 ABL1 (1.00) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL29580067 0.97 ABL1 (1.00) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL1984397 0.97 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL1459790 0.97 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL31005052 0.97 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL434496 0.97 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL9990634 0.97 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL28656586 0.97 ABL1 (0.99) ABL1KITBCRLDLRPCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635015-A Pharmaceutical composition 深圳市药欣生物科技有限公司 2023-08-22 CN claimed
EP-4221690-A1 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2023-08-09 EP claimed
EP-2535337-B1 Crystalline forms of 4-methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide sulfate and its amorphous form NOVARTIS AG (CH) 2017-08-23 EP claimed
EP-2535337-A1 Crystalline forms of 4-methyl-n-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide sulfate and its amorphous form Novartis AG (CH) 2012-12-19 EP claimed
US-20230414613-A1 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2023-12-28 US disclosed
CN-116635015-A Pharmaceutical composition 深圳市药欣生物科技有限公司 2023-08-22 CN disclosed
EP-4221690-A1 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2023-08-09 EP disclosed
EP-3189045-B1 NOVEL SALTS OF NILOTINIB AND POLYMORPHS THEREOF SUN PHARMACEUTICAL IND LTD (IN) 2022-02-09 EP disclosed
US-10280153-B2 Process for the preparation of pure nilotinib and its salt F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2019-05-07 US disclosed
EP-3461818-A1 POLYMORPHIC FORMS OF NILOTINIB HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2019-04-03 EP disclosed
US-10138221-B2 Salts of nilotinib and polymorphs thereof SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2018-11-27 US disclosed
CN-108864051-A The method for being used to prepare pure nilotinib and its salt 意大利合成制造有限公司 2018-11-23 CN disclosed
WO-2010009402-A9 NILOTINIB INTERMEDIATES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-17 WO disclosed
WO-2010054056-A2 NILOTINIB HCI CRYSTALLINE FORMS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-05-14 WO disclosed
WO-2010009402-A2 NILOTINIB INTERMEDIATES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-01-21 WO disclosed
US-20100016590-A1 NILOTINIB INTERMEDIATES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-01-21 US disclosed
US-20080269269-A1 Protein kinase inhibitor; purity; polymorphism NOVARTIS AG (CH) 2008-10-30 US disclosed
CN-101228150-A Crystalline forms of 4-methyl-N- [ 3- (4-methyl-imidazol-1-yl) -5-trifluoromethyl-phenyl ] -3- (4-pyridin-3-yl-pyrimidin-2-ylamino) -benzamide NOVARTIS AG (CH) 2008-07-23 CN disclosed
EP-1912973-A2 CRYSTALLINE FORMS OF 4-METHYL-N-[3-(4-METHYL-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYL-PHENYL]3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-BENZAMIDE Novartis AG (CH) 2008-04-23 EP disclosed
WO-2007015870-A2 CRYSTALLINE FORMS OF 4-METHYL-N-[3-(4-METHYL-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYL-PHENYL]-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-BENZAMIDE NOVARTIS AG (CH) 2007-02-08 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 (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-20080269269-A1 Protein kinase inhibitor; purity; polymorphism MAP4K2, MAP4K1, CSNK1A1 ABL1 75/4885BCR 1101/4885KIT 813/4885
US-20230414613-A1 PHARMACEUTICAL COMPOSITIONS ABL1, ABCG2, LIPA ABL1 1/4885BCR 89/4885KIT 247/4885
US-10280153-B2 Process for the preparation of pure nilotinib and its salt ABL1, ABL2, LCK ABL1 1/4885BCR 87/4885KIT 178/4885
US-20100016590-A1 NILOTINIB INTERMEDIATES AND PREPARATION THEREOF ABL1, FLT3, ABL2 ABL1 1/4885BCR 5/4885KIT 515/4885
US-10138221-B2 Salts of nilotinib and polymorphs thereof ABL1, PTPN13, PTPN1 ABL1 1/4885BCR 28/4885KIT 2106/4885

“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.