SCHEMBL16623514

SCHEMBL16623514

O=c1[nH]ccc2c1c(-c1ccc(S)cc1)cn2[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.39
RIPK2 O43353 1/20 0.33
ABL1 P00519 3/20 0.33
EGFR P00533 3/20 0.33
ABL2 P42684 3/20 0.33
HCAR1 Q9BXC0 1/20 0.33
SRC P12931 4/20 0.32
KDM1A O60341 1/20 0.32
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
LCK P06239 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
KDR P35968 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
TEK Q02763 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31

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
SCHEMBL16623437 1.00 BRD9 (0.39) BRD9RIPK2ABL1EGFRABL2
SCHEMBL16623513 0.90 SRC (0.38) BRD9ABL1EGFRABL2SRC
SCHEMBL16726643 0.87 GSK3B (0.40) BRD9HCAR1SRCLCKTEK
SCHEMBL18052586 0.85 BRD9 (0.38) BRD9RIPK2ABL1EGFRABL2
SCHEMBL16611565 0.84 CA1 (0.39) BRD9RIPK2ABL1EGFRABL2
SCHEMBL16611563 0.84 CA1 (0.39) BRD9RIPK2ABL1EGFRABL2
SCHEMBL16611817 0.84 CA1 (0.39) BRD9RIPK2ABL1EGFRABL2
SCHEMBL16623549 0.83 LCK (0.38) BRD9SRCLCKKDRTEK
SCHEMBL16623539 0.79 BRD9 (0.32) BRD9HCAR1JAK2JAK1
SCHEMBL16610617 0.78 SRC (0.46) BRD9RIPK2ABL1EGFRABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BRD9 283/4885RIPK2 92/4885ABL1 1046/4885

“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.