SCHEMBL19404656

SCHEMBL19404656

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

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.85
KIT P10721 12/20 0.85
LDLR P01130 9/20 0.85
PCSK9 Q8NBP7 9/20 0.85
PDGFRB P09619 7/20 0.85
BCR P11274 7/20 0.85
LCK P06239 4/20 0.85
LYN P07948 4/20 0.85
PDGFRA P16234 4/20 0.85
FLT3 P36888 4/20 0.85
DDR2 Q16832 4/20 0.85
ADORA3 P0DMS8 2/20 0.85
SRC P12931 2/20 0.85
EPHB6 O15197 1/20 0.85
CA12 O43570 1/20 0.85
CACNA1F O60840 1/20 0.85
SLC22A3 O75751 1/20 0.85
STK10 O94804 1/20 0.85
CA1 P00915 1/20 0.85
CA2 P00918 1/20 0.85

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
SCHEMBL1954660 0.95 ABL1 (0.86) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL7901 0.92 ABL1 (1.00) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL29580067 0.92 ABL1 (1.00) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL29366964 0.92 ABL1 (1.00) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL434496 0.91 ABL1 (0.99) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL31005052 0.91 ABL1 (0.99) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL1984397 0.91 ABL1 (0.99) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL1459790 0.91 ABL1 (0.99) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL9990634 0.91 ABL1 (0.99) ABL1KITLDLRPCSK9PDGFRB
Nilotinib SCHEMBL28569394 0.91 ABL1 (0.99) ABL1KITLDLRPCSK9PDGFRB

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 3 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
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-20170273978-A1 IMIDAZOYL ANILIDE DERIVATIVES AND METHODS OF USE INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-09-28 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-20170273978-A1 IMIDAZOYL ANILIDE DERIVATIVES AND METHODS OF USE ABL1, FLT3, ALK ABL1 1/4885KIT 758/4885LDLR 2476/4885

“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.