SCHEMBL16623549

SCHEMBL16623549

O=c1[nH]ccc2c1c(-c1ccc(S)cc1)cn2C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.38
SRC P12931 2/20 0.38
TEK Q02763 2/20 0.38
FYN P06241 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
CDK8 P49336 1/20 0.36
MAP2K1 Q02750 1/20 0.36
ACVR1 Q04771 1/20 0.36
BTK Q06187 1/20 0.36
TNK2 Q07912 1/20 0.36
IKBKE Q14164 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36

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
SCHEMBL16726643 0.93 GSK3B (0.40) LCKSRCTEKGSK3BDYRK1A
SCHEMBL18052582 0.86 LCK (0.38) LCKSRCTEKFYNRET
SCHEMBL16610867 0.85 CA12 (0.38) LCKSRCTEKFYNRET
SCHEMBL16623513 0.85 SRC (0.38) LCKSRCTEKFYNKDR
SCHEMBL16610850 0.83 LCK (0.39) LCKSRCTEKFYNRET
SCHEMBL16623514 0.83 BRD9 (0.39) LCKSRCTEKKDRBTK
SCHEMBL16623437 0.83 BRD9 (0.39) LCKSRCTEKKDRBTK
SCHEMBL16623519 0.79 GSK3B (0.38) LCKSRCTEKFYNRET
SCHEMBL16610905 0.78 CA12 (0.39) LCKSRCTEKFLT3GSK3B
SCHEMBL16611042 0.77 GSK3B (0.36) LCKSRCTEKFYNRET

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 LCK 1373/4885SRC 1557/4885TEK 4471/4885

“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.