SCHEMBL16610797

SCHEMBL16610797

COc1nccc2c1c(-c1ccc(CC#N)cc1)cn2C1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.43
FYN P06241 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
FLT3 P36888 1/20 0.43
CDK8 P49336 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ACVR1 Q04771 1/20 0.43
BTK Q06187 1/20 0.43
TNK2 Q07912 1/20 0.43
IKBKE Q14164 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
AURKB Q96GD4 1/20 0.43
LRRK2 Q5S007 10/20 0.42

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
SCHEMBL16610897 0.94 DYRK1A (0.41) LCKFYNRETPDGFRBPDGFRA
SCHEMBL16611230 0.80 LRRK2 (0.42) LCKFYNRETPDGFRBPDGFRA
SCHEMBL16610850 0.76 LCK (0.39) LCKFYNRETPDGFRBPDGFRA
SCHEMBL16610783 0.76 LRRK2 (0.48) LRRK2GSK3BDYRK1A
SCHEMBL16611272 0.74 GSK3B (0.42) LCKLRRK2SRCTEKGSK3B
SCHEMBL16612072 0.71 EGFR (0.44) KDRBTKSRCNAAA
SCHEMBL16611326 0.70 NAAA (0.37) KDRFLT3SRCNAAA
SCHEMBL16611042 0.70 GSK3B (0.36) LCKFYNRETPDGFRBPDGFRA
SCHEMBL16610864 0.69 LRRK2 (0.46) LRRK2GSK3BDYRK1A
SCHEMBL16611526 0.64 LRRK2 (0.47) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 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
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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LCK 1373/4885FYN 712/4885RET 2202/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LCK 1373/4885FYN 712/4885RET 2202/4885

“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.