SCHEMBL16610920

SCHEMBL16610920

COc1ncc(C#N)c2c1c(-c1cnn(CC(N)=O)c1)cn2C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.35
EGFR P00533 3/20 0.35
SRC P12931 3/20 0.35
ABL2 P42684 3/20 0.35
BRD4 O60885 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
RET P07949 5/20 0.33
EP300 Q09472 2/20 0.33
FGFR4 P22455 1/20 0.33
ALK Q9UM73 1/20 0.33
PRKAB2 O43741 1/20 0.33
CSF1R P07333 1/20 0.33
LYN P07948 1/20 0.33
PRKAG1 P54619 1/20 0.33
SIK1 P57059 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
SCHEMBL16611003 0.87 PIK3CG (0.36) ABL1EGFRSRCABL2JAK2
SCHEMBL16611024 0.85 KDM5A (0.36) ABL1EGFRSRCABL2RET
SCHEMBL16611713 0.83 SRC (0.39) ABL1EGFRSRCABL2RET
SCHEMBL16611724 0.83 RET (0.40) RET
SCHEMBL16611350 0.83 SRC (0.42) ABL1EGFRSRCABL2RET
SCHEMBL16611632 0.82 LRRK2 (0.38) ABL1EGFRSRCABL2RET
SCHEMBL16611022 0.82 LRRK2 (0.38) ABL1EGFRSRCABL2RET
SCHEMBL16611308 0.81 ALK (0.35) BRD4JAK2JAK3JAK1TYK2
SCHEMBL16611418 0.79 RORC (0.35) ABL1EGFRSRCABL2CCNT1
SCHEMBL16610877 0.79 SRC (0.46) ABL1EGFRSRCABL2JAK2

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 ABL1 1046/4885EGFR 4532/4885SRC 1557/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ABL1 1046/4885EGFR 4532/4885SRC 1557/4885

“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.