SCHEMBL16611024

SCHEMBL16611024

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
RET P07949 12/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
LRRK2 Q5S007 1/20 0.35
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
ABL2 P42684 1/20 0.32
PRPS1 P60891 1/20 0.32
USP30 Q70CQ3 1/20 0.32
RIPK2 O43353 1/20 0.31

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 0.89 PIK3CG (0.36) RETABL1EGFRSRCABL2
SCHEMBL16611724 0.86 RET (0.40) RET
SCHEMBL16610920 0.85 ABL1 (0.35) RETIRAK4FGFR4ABL1EGFR
SCHEMBL16611632 0.85 LRRK2 (0.38) KDM5ARETIRAK4LRRK2ABL1
SCHEMBL16611022 0.84 LRRK2 (0.38) KDM5ARETIRAK4LRRK2ABL1
SCHEMBL16611226 0.81 SRC (0.44) KDRABL1EGFRSRCABL2
SCHEMBL16611490 0.80 KDM5A (0.42) KDM5AKDM5BRETIRAK4PRPS1
SCHEMBL16610728 0.79 ROCK2 (0.35) ABL1EGFRSRCABL2
SCHEMBL16610877 0.79 SRC (0.46) RETFGFR1FGFR2FGFR4FGFR3
SCHEMBL16611505 0.78 SRC (0.39) RETFGFR1FGFR2FGFR4FGFR3

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 KDM5A 132/4885KDM5B 139/4885RET 2202/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM5A 132/4885KDM5B 139/4885RET 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.