SCHEMBL22612503

SCHEMBL22612503

Cn1cc2cc(N3CCCCC3)c(NC(=O)c3cccc(N4CC[C@H](N)C4)n3)cc2n1.Cn1ncc2cc(N3CCCCC3)c(NC(=O)c3cccc(N4CC[C@H](N)C4)n3)cc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.52
▸ MAP4K1 Q92918 5/20 0.52
▸ PRKAA1 Q13131 2/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ IRAK4 Q9NWZ3 12/20 0.47
▸ PIM1 P11309 3/20 0.42
▸ PIM3 Q86V86 3/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ LCK P06239 1/20 0.39

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
SCHEMBL18889882 0.93 IRAK4 (0.52) NTRK1MAP4K1PRKAA1FLT3IRAK4
SCHEMBL17382890 0.93 IRAK4 (0.52) NTRK1MAP4K1PRKAA1FLT3IRAK4
SCHEMBL17373840 0.93 NTRK1 (0.58) NTRK1MAP4K1PRKAA1FLT3IRAK4
SCHEMBL30659518 0.93 NTRK1 (0.58) NTRK1MAP4K1PRKAA1FLT3IRAK4
SCHEMBL17373838 0.93 NTRK1 (0.58) NTRK1MAP4K1PRKAA1FLT3IRAK4
SCHEMBL16899027 0.90 IRAK4 (0.52) NTRK1MAP4K1PRKAA1FLT3IRAK4
SCHEMBL16906710 0.90 IRAK4 (0.52) NTRK1MAP4K1PRKAA1FLT3IRAK4
SCHEMBL16906696 0.90 IRAK4 (0.52) NTRK1MAP4K1PRKAA1FLT3IRAK4
Trifluoroacetic Acid SCHEMBL16899011 0.85 IRAK4 (0.48) NTRK1MAP4K1PRKAA1FLT3IRAK4
Trifluoroacetic Acid SCHEMBL16899010 0.85 IRAK4 (0.48) NTRK1MAP4K1PRKAA1FLT3IRAK4

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
US-11419875-B2 Compounds and compositions for treating hematological disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-08-23 — — US disclosed
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-09-23 — — US disclosed
US-20200345704-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS CURIS, INC. 2020-11-05 — — 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 (3 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-20200345704-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, IRAK2, JAK2 NTRK1 3731/4885MAP4K1 472/4885PRKAA1 1013/4885
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, FLT3, IRAK3 NTRK1 2644/4885MAP4K1 218/4885PRKAA1 765/4885
US-11419875-B2 Compounds and compositions for treating hematological disorders IRAK4, FLT3, IRAK3 NTRK1 2644/4885MAP4K1 218/4885PRKAA1 765/4885

“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.

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