SCHEMBL18889882

SCHEMBL18889882

Cn1cc2cc(N3CCCCC3)c(NC(=O)c3cccc(N4CCC(N)C4)n3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 11/20 0.52
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ NTRK1 P04629 3/20 0.43
▸ MAP4K1 Q92918 3/20 0.43
▸ PRKAA1 Q13131 2/20 0.43
▸ HSD11B1 P28845 2/20 0.43
▸ PRKCQ Q04759 2/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL17382890 1.00 IRAK4 (0.52) IRAK4PIM1PIM3NTRK1MAP4K1
SCHEMBL16906710 0.97 IRAK4 (0.52) IRAK4PIM1PIM3NTRK1MAP4K1
SCHEMBL16899027 0.97 IRAK4 (0.52) IRAK4PIM1PIM3NTRK1MAP4K1
SCHEMBL16906696 0.97 IRAK4 (0.52) IRAK4PIM1PIM3NTRK1MAP4K1
SCHEMBL22612503 0.93 NTRK1 (0.52) IRAK4PIM1PIM3NTRK1MAP4K1
Trifluoroacetic Acid SCHEMBL16899011 0.92 IRAK4 (0.48) IRAK4NTRK1MAP4K1PRKAA1FLT3
Trifluoroacetic Acid SCHEMBL16899010 0.92 IRAK4 (0.48) IRAK4NTRK1MAP4K1PRKAA1FLT3
SCHEMBL17373791 0.91 IRAK4 (0.52) IRAK4PIM1PIM3HSD11B1FLT3
SCHEMBL17383684 0.91 IRAK4 (0.52) IRAK4PIM1PIM3HSD11B1FLT3
SCHEMBL16899109 0.87 IRAK4 (0.52) IRAK4PIM1PIM3HSD11B1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704108-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Curis, Inc. (US) 2020-09-09 — — EP claimed
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 — — US claimed
EP-4410377-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Curis, Inc. (US) 2024-08-07 — — EP disclosed
EP-4252853-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Aurigene Oncology Limited (IN) 2023-10-04 — — EP disclosed
EP-3704108-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Curis, Inc. (US) 2020-09-09 — — EP disclosed
US-10758518-B2 Compounds and compositions for treating hematological disorders CURIS, INC. (US) 2020-09-01 — — US disclosed
EP-3600270-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS Aurigene Discovery Technologies Limited (IN) 2020-02-05 — — EP disclosed
US-20190134010-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS CURIS, INC. 2019-05-09 — — US disclosed
WO-2018178947-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-10-04 — — WO disclosed
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 — — 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-10758518-B2 Compounds and compositions for treating hematological disorders IRAK4, IRAK2, JAK2 IRAK4 1/4885PIM1 59/4885PIM3 64/4885
US-20190134010-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, IRAK2, JAK2 IRAK4 1/4885PIM1 59/4885PIM3 64/4885
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK2 IRAK4 1/4885PIM1 88/4885PIM3 111/4885

“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.

Send feedback