Nilotinib

Nilotinib

SCHEMBL1459790

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

nearest known ligand 0.99

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 0.99
BCR known ✓ P11274 8/20 0.99
KIT P10721 11/20 0.99
LDLR P01130 8/20 0.99
PCSK9 Q8NBP7 8/20 0.99
PDGFRB P09619 6/20 0.99
LCK P06239 4/20 0.99
LYN P07948 4/20 0.99
PDGFRA P16234 4/20 0.99
FLT3 P36888 4/20 0.99
DDR2 Q16832 4/20 0.99
ADORA3 P0DMS8 2/20 0.99
SRC P12931 2/20 0.99
EPHB6 O15197 1/20 0.99
CA12 O43570 1/20 0.99
CACNA1F O60840 1/20 0.99
SLC22A3 O75751 1/20 0.99
STK10 O94804 1/20 0.99
CA1 P00915 1/20 0.99
CA2 P00918 1/20 0.99

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 SCHEMBL1565706 1.00 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL31005052 1.00 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL434496 1.00 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL28656586 1.00 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL235245 0.99 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL18095566 0.99 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL2223849 0.99 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL1460791 0.99 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL29392981 0.99 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL28663798 0.99 ABL1 (0.97) 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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301282-B2 Polymorphic form X of nilotinib dihydrochloride hydrate CIPLA LIMITED (IN) 2019-05-28 US claimed
US-20180111915-A1 Novel Polymorphic Form X of Nilotinib Dihydrochloride Hydrate CIPLA LIMITED (IN) 2018-04-26 US claimed
EP-3271351-A1 NOVEL POLYMORPHIC FORM X OF NILOTINIB DIHYDROCHLORIDE HYDRATE Cipla Limited (IN) 2018-01-24 EP claimed
WO-2016151304-A1 NOVEL POLYMORPHIC FORM X OF NILOTINIB DIHYDROCHLORIDE HYDRATE CIPLA LIMITED (IN) 2016-09-29 WO claimed
WO-2011033307-A1 NILOTINIB DIHYDROCHLORIDE SALT GENERICS [UK] LIMITED (GB) 2011-03-24 WO claimed
CN-113292537-B Salts of kinase inhibitors and compositions thereof 汉达癌症医药责任有限公司 2024-04-05 CN disclosed
CN-116808044-A Salts of kinase inhibitors and compositions thereof 汉达癌症医药责任有限公司 2023-09-29 CN disclosed
US-20230142737-A1 KINASE INHIBITOR SALTS AND COMPOSITIONS THEREOF HANDA ONCOLOGY, LLC (US) 2023-05-11 US disclosed
CN-115569137-A Salts of kinase inhibitors and compositions thereof 汉达癌症医药责任有限公司 2023-01-06 CN disclosed
CN-115192540-A Salts of kinase inhibitors and compositions thereof 汉达癌症医药责任有限公司 2022-10-18 CN disclosed
EP-3189045-B1 NOVEL SALTS OF NILOTINIB AND POLYMORPHS THEREOF SUN PHARMACEUTICAL IND LTD (IN) 2022-02-09 EP disclosed
CN-113788817-A Nilotinib semi-hydrochloride monohydrate crystal form and preparation method thereof 南京海润医药有限公司 2021-12-14 CN disclosed
US-9090598-B2 Nilotinib salts and crystalline forms thereof TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2015-07-28 US disclosed
US-20150099885-A1 Nilotinib Salts And Crystalline Forms Thereof TEVA PHARMA (IL) 2015-04-09 US disclosed
US-8937082-B2 Nilotinib salts and crystalline forms thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-01-20 US disclosed
US-20130158059-A1 NILOTINIB SALTS AND CRYSTALLINE FORMS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2013-06-20 US disclosed
EP-2571863-A1 NILOTINIB SALTS AND CRYSTALLINE FORMS THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2013-03-27 EP disclosed
WO-2011163222-A1 NILOTINIB SALTS AND CRYSTALLINE FORMS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-29 WO disclosed
WO-2011033307-A1 NILOTINIB DIHYDROCHLORIDE SALT GENERICS [UK] LIMITED (GB) 2011-03-24 WO disclosed
WO-2011033307-A1 NILOTINIB DIHYDROCHLORIDE SALT GENERICS [UK] LIMITED (GB) 2011-03-24 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-20150099885-A1 Nilotinib Salts And Crystalline Forms Thereof ABL1, TP53, NRAS ABL1 1/4885BCR 24/4885KIT 1401/4885
US-20130158059-A1 NILOTINIB SALTS AND CRYSTALLINE FORMS THEREOF ABL1, TP53, NRAS ABL1 1/4885BCR 24/4885KIT 1401/4885
US-20180111915-A1 Novel Polymorphic Form X of Nilotinib Dihydrochloride Hydrate ABL1, TP53, HLA-DRB1 ABL1 1/4885BCR 9/4885KIT 559/4885
US-20230142737-A1 KINASE INHIBITOR SALTS AND COMPOSITIONS THEREOF BRAF, MAP3K21, MAP3K20 ABL1 30/4885BCR 875/4885KIT 666/4885
US-10301282-B2 Polymorphic form X of nilotinib dihydrochloride hydrate ABL1, TP53, HLA-DRB1 ABL1 1/4885BCR 20/4885KIT 782/4885

“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.