SCHEMBL16752469

SCHEMBL16752469

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CC[C@H](N2CCN(CCO)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 12/20 1.00
▸ SRC P12931 10/20 0.80
▸ LCK P06239 9/20 0.80
▸ TEK Q02763 8/20 0.80
▸ FLT3 P36888 7/20 0.80
▸ KDR P35968 4/20 0.80
▸ EGFR P00533 3/20 0.80
▸ FYN P06241 2/20 0.80
▸ LYN P07948 2/20 0.80
▸ CSK P41240 2/20 0.80
▸ BTK Q06187 2/20 0.80
▸ PRKD3 O94806 2/20 0.80
▸ PRKCD Q05655 2/20 0.80
▸ ABL1 P00519 2/20 0.80
▸ PLK4 O00444 1/20 0.80
▸ DCLK1 O15075 1/20 0.80
▸ PDPK1 O15530 1/20 0.80
▸ MAP4K4 O95819 1/20 0.80
▸ PAK4 O96013 1/20 0.80
▸ CHEK2 O96017 1/20 0.80

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
SCHEMBL16752471 1.00 HCK (1.00) HCKSRCLCKTEKFLT3
SCHEMBL21283026 0.95 HCK (0.90) HCKSRCLCKTEKFLT3
SCHEMBL6461460 0.91 HCK (0.83) HCKSRCLCKTEKFLT3
SCHEMBL6468049 0.91 HCK (0.83) HCKSRCLCKTEKFLT3
SCHEMBL6461457 0.91 HCK (0.83) HCKSRCLCKTEKFLT3
SCHEMBL6463840 0.90 HCK (0.82) HCKSRCLCKTEKFLT3
SCHEMBL6459339 0.90 HCK (0.82) HCKSRCLCKTEKFLT3
SCHEMBL6459343 0.90 HCK (0.82) HCKSRCLCKTEKFLT3
SCHEMBL23873610 0.89 HCK (0.81) HCKSRCLCKTEKFLT3
SCHEMBL22845296 0.89 HCK (0.80) HCKSRCLCKTEKFLT3

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-2878601-B1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA RIKEN (JP) 2018-03-28 — — EP disclosed
EP-2878601-B1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA RIKEN (JP) 2018-03-28 — — EP disclosed
US-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 — — US disclosed
US-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 — — US disclosed
US-9604988-B2 Agent for treating or inhibiting recurrence of acute myeloid leukemia RIKEN (JP) 2017-03-28 — — US disclosed
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA RIKEN (JP) 2015-07-30 — — US disclosed
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA RIKEN (JP) 2015-07-30 — — US disclosed
US-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA RIKEN (JP) 2015-07-30 — — US disclosed
EP-2878601-A1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA Riken (JP) 2015-06-03 — — EP disclosed
EP-2878601-A1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA Riken (JP) 2015-06-03 — — EP 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-20150210698-A1 AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA MCL1, BCOR, RUNX1 HCK 2686/4885SRC 395/4885LCK 3635/4885

“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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