SCHEMBL16611384

SCHEMBL16611384

N#Cc1c[nH]c(=O)c2c(-c3cccc(C(N)=O)c3)cn(C3CCCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
LRRK2 Q5S007 2/20 0.38
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
SRC P12931 2/20 0.37
ABL2 P42684 2/20 0.37
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
NPM1 P06748 1/20 0.37
CSF1R P07333 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
ROS1 P08922 1/20 0.37

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
SCHEMBL16611255 0.89 CHUK (0.40) LRRK2ABL1EGFRSRCABL2
SCHEMBL16611838 0.88 TDP2 (0.37) LRRK2ABL1EGFRSRCABL2
SCHEMBL16610802 0.85 SRC (0.41) LRRK2ABL1EGFRSRCABL2
SCHEMBL16611439 0.84 NEK2 (0.38) OPRM1OPRK1KCNH2EGFRSYK
SCHEMBL16611079 0.84 ALDH1A1 (0.40) BRD4USP30CREBBP
SCHEMBL16611087 0.83 CDK2 (0.40) BRD4LRRK2ABL1EGFRSRC
SCHEMBL16610730 0.82 XDH (0.33) BTK
SCHEMBL16610623 0.82 BTK (0.38) ABL1EGFRSRCABL2BTK
SCHEMBL16611598 0.82 XDH (0.38) FLT3TYRO3MERTKBTK
SCHEMBL16611189 0.80 TBK1 (0.39) BRD4OPRM1OPRK1LRRK2USP30

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 11 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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
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-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
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
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 BRD4 24/4885OPRM1 4759/4885OPRK1 4106/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BRD4 24/4885OPRM1 4759/4885OPRK1 4106/4885

“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.