SCHEMBL16626833

SCHEMBL16626833

Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.83
BCR P11274 9/20 0.83
PDGFRA P16234 9/20 0.83
PDGFRB P09619 8/20 0.83
KIT P10721 7/20 0.83
LCK P06239 4/20 0.83
LYN P07948 4/20 0.83
FLT3 P36888 4/20 0.83
DDR2 Q16832 4/20 0.83
LDLR P01130 2/20 0.83
PCSK9 Q8NBP7 2/20 0.83
ADORA3 P0DMS8 2/20 0.83
EPHB6 O15197 1/20 0.83
CA12 O43570 1/20 0.83
CACNA1F O60840 1/20 0.83
SLC22A3 O75751 1/20 0.83
STK10 O94804 1/20 0.83
CA1 P00915 1/20 0.83
CA2 P00918 1/20 0.83
RAF1 P04049 1/20 0.83

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
SCHEMBL31017569 1.00 ABL1 (0.83) ABL1BCRPDGFRAPDGFRBKIT
Hydrochloric Acid SCHEMBL28636000 0.99 ABL1 (0.82) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL22169874 0.94 ABL1 (0.81) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL3533748 0.92 ABL1 (0.70) ABL1BCRPDGFRAPDGFRBKIT
Nilotinib SCHEMBL29366964 0.91 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBKIT
Nilotinib SCHEMBL29580067 0.91 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBKIT
Nilotinib SCHEMBL7901 0.91 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBKIT
Nilotinib SCHEMBL9990634 0.90 ABL1 (0.99) ABL1BCRPDGFRAPDGFRBKIT
Nilotinib SCHEMBL1984397 0.90 ABL1 (0.99) ABL1BCRPDGFRAPDGFRBKIT
Nilotinib SCHEMBL434496 0.90 ABL1 (0.99) ABL1BCRPDGFRAPDGFRBKIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 CN claimed
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-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 CN disclosed
US-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS GROUP, INC. 2015-04-09 US 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 (1 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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, IL5 ABL1 372/4885BCR 1625/4885PDGFRA 732/4885

“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.