Nilotinib

Nilotinib

SCHEMBL2223849

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

nearest known ligand 0.97

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 0.97
BCR known ✓ P11274 8/20 0.97
KIT P10721 11/20 0.97
LDLR P01130 8/20 0.97
PCSK9 Q8NBP7 8/20 0.97
PDGFRB P09619 6/20 0.97
LCK P06239 4/20 0.97
LYN P07948 4/20 0.97
PDGFRA P16234 4/20 0.97
FLT3 P36888 4/20 0.97
DDR2 Q16832 4/20 0.97
ADORA3 P0DMS8 2/20 0.97
SRC P12931 2/20 0.97
EPHB6 O15197 1/20 0.97
CA12 O43570 1/20 0.97
CACNA1F O60840 1/20 0.97
SLC22A3 O75751 1/20 0.97
STK10 O94804 1/20 0.97
CA1 P00915 1/20 0.97
CA2 P00918 1/20 0.97

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 SCHEMBL1460791 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL30715492 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL29392981 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL29693815 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL30715493 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL28663798 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL235245 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL18095566 1.00 ABL1 (0.97) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL1459790 0.99 ABL1 (0.99) ABL1KITBCRLDLRPCSK9
Nilotinib SCHEMBL1984397 0.99 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214225-A Method for preparing nilotinib monohydrochloride dihydrate crystal form A 安礼特(上海)医药科技有限公司 2021-08-06 CN claimed
WO-2012164578-A1 COMPOSITIONS AND METHODS FOR PREPARING IMMEDIATE RELEASE FORMULATIONS OF NILOTINIB HETERO RESEARCH FOUNDATION (IN) 2012-12-06 WO claimed
US-12065426-B2 Crystalline form of nilotinib hydrochloride, process for its preparation and pharmaceutical composition containing the same LAURUS LABS LIMITED (IN) 2024-08-20 US disclosed
CN-113214225-B Method for preparing nilotinib Shan Yansuan salt dihydrate crystal form A 江苏希迪制药有限公司 2023-12-22 CN disclosed
EP-4260848-A1 PHARMACEUTICAL COMPOSITION FOR SOLID DOSAGE FORM CONTAINING NILOTINIB AND PROCESS FOR ITS PREPARATION Lotus Pharmaceutical Co., Ltd. (TW) 2023-10-18 EP disclosed
EP-4122452-A1 PHARMACEUTICAL COMPOSITION COMPRISING NILOTINIB AND METHOD OF MANUFACTURING THE SAME KRKA, d.d., Novo mesto (SI) 2023-01-25 EP disclosed
US-20210380557-A1 CRYSTALLINE FORM OF NILOTINIB HYDROCHLORIDE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LAURUS LABS LIMITED (IN) 2021-12-09 US disclosed
EP-3877379-A1 CRYSTALLINE FORM OF NILOTINIB HYDROCHLORIDE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Laurus Labs Limited (IN) 2021-09-15 EP disclosed
CN-113214225-A Method for preparing nilotinib monohydrochloride dihydrate crystal form A 安礼特(上海)医药科技有限公司 2021-08-06 CN disclosed
CN-113214225-A Method for preparing nilotinib monohydrochloride dihydrate crystal form A 安礼特(上海)医药科技有限公司 2021-08-06 CN disclosed
CN-113214225-A Method for preparing nilotinib monohydrochloride dihydrate crystal form A 安礼特(上海)医药科技有限公司 2021-08-06 CN disclosed
US-20150246901-A1 MULTICOMPONENT CRYSTALLINE SYSTEM COMPRISING NILOTINIB AND SELECTED CO-CRYSTAL FORMERS BASF SE (DE) 2015-09-03 US disclosed
EP-2909191-A1 MULTICOMPONENT CRYSTALLINE SYSTEM COMPRISING NILOTINIB AND SELECTED CO-CRYSTAL FORMERS BASF SE (DE) 2015-08-26 EP disclosed
US-20150183762-A1 PROCESS FOR THE PREPARATION OF NILOTINIB NATCO PHARMA LIMITED (IN) 2015-07-02 US disclosed
US-9061028-B2 Process for the preparation of Nilotinib NATCO PHARMA LIMITED (IN) 2015-06-23 US disclosed
WO-2014174456-A2 POLYMORPHIC FORMS OF NILOTINIB HYDROCHLORIDE DR. REDDYS LABORATORIES LIMITED (IN) 2014-10-30 WO disclosed
WO-2014060449-A1 MULTICOMPONENT CRYSTALLINE SYSTEM COMPRISING NILOTINIB AND SELECTED CO-CRYSTAL FORMERS BASF SE (DE) 2014-04-24 WO disclosed
US-20130210847-A1 PROCESS FOR THE PREPARATION OF NILOTINIB NATCO PHARMA LIMITED (IN) 2013-08-15 US disclosed
WO-2012164578-A1 COMPOSITIONS AND METHODS FOR PREPARING IMMEDIATE RELEASE FORMULATIONS OF NILOTINIB HETERO RESEARCH FOUNDATION (IN) 2012-12-06 WO disclosed
WO-2011086541-A1 NOVEL POLYMORPH OF NILOTINIB MONOHYDROCHLORIDE MONOHYDRATE GENERICS [UK] LIMITED (GB) 2011-07-21 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-20210380557-A1 CRYSTALLINE FORM OF NILOTINIB HYDROCHLORIDE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ABL1, LCK, FYN ABL1 1/4885BCR 13/4885KIT 229/4885
US-20130210847-A1 PROCESS FOR THE PREPARATION OF NILOTINIB ABL1, YES1, JAK1 ABL1 1/4885BCR 87/4885KIT 70/4885
US-12065426-B2 Crystalline form of nilotinib hydrochloride, process for its preparation and pharmaceutical composition containing the same ABL1, LCK, FYN ABL1 1/4885BCR 13/4885KIT 229/4885
US-20150246901-A1 MULTICOMPONENT CRYSTALLINE SYSTEM COMPRISING NILOTINIB AND SELECTED CO-CRYSTAL FORMERS ABL1, SRC, LCK ABL1 1/4885BCR 45/4885KIT 306/4885
US-20150183762-A1 PROCESS FOR THE PREPARATION OF NILOTINIB ABL1, YES1, JAK1 ABL1 1/4885BCR 87/4885KIT 70/4885

“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.