SCHEMBL16611438

SCHEMBL16611438

COc1nccc2c1c(-c1cccc(CN(C)C)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
P2RY1 P47900 2/20 0.37
TNK2 Q07912 1/20 0.33
AURKB Q96GD4 3/20 0.33
LRRK2 Q5S007 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
RET P07949 2/20 0.33
FLT1 P17948 2/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
ROS1 P08922 1/20 0.33
KDR P35968 1/20 0.33
MAP4K2 Q12851 1/20 0.33
STK3 Q13188 1/20 0.33
ROCK1 Q13464 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33

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
SCHEMBL16611034 0.88 SRC (0.39) LRRK2FYNKDRGABRG2GABRB3
SCHEMBL16611229 0.88 LRRK2 (0.33) LRRK2GRIN2BCCNA2CDK2
SCHEMBL16611506 0.85 PIK3CG (0.41) LRRK2KDRPOLQTGFBR1
SCHEMBL16611570 0.85 PPARD (0.38) ROCK1ROCK2CYP3A4CDK2
SCHEMBL16610852 0.84 CNR1 (0.43) LRRK2
SCHEMBL16611422 0.83 LRRK2 (0.38) LRRK2
SCHEMBL16610798 0.83 LRRK2 (0.35) LRRK2CCNA2CDK2
SCHEMBL16610826 0.77 JAK1 (0.41) HTR7METMAPK14
SCHEMBL16610973 0.77 PIK3CG (0.37) LRRK2KDRCYP3A4CYP2D6FGFR1
SCHEMBL16611134 0.77 FFAR4 (0.36) MAPK14CCNA2CDK2

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 HTR7 4717/4885P2RY1 3343/4885TNK2 3563/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 HTR7 4717/4885P2RY1 3343/4885TNK2 3563/4885

“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.