SCHEMBL16611579

SCHEMBL16611579

COc1ncc(C#N)c2c1c(-c1cccs1)cn2C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
CSNK2A1 P68400 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABL1 P00519 3/20 0.32
EGFR P00533 3/20 0.32
SRC P12931 3/20 0.32
ABL2 P42684 3/20 0.32

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
SCHEMBL16611226 0.84 SRC (0.44) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL16611505 0.81 SRC (0.39) KDM4ENPSR1GLAABL1EGFR
SCHEMBL16611095 0.81 SQOR (0.36) ABL1EGFRSRCABL2KDR
SCHEMBL16610877 0.80 SRC (0.46) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL16610847 0.79 BMPR1A (0.37) ABL1EGFRSRCABL2
SCHEMBL16611724 0.79 RET (0.40) CHEK1
SCHEMBL16611632 0.78 LRRK2 (0.38) ABL1EGFRSRCABL2CHEK1
SCHEMBL16610728 0.78 ROCK2 (0.35) ABL1EGFRSRCABL2
SCHEMBL16611022 0.77 LRRK2 (0.38) ABL1EGFRSRCABL2CHEK1
SCHEMBL16610732 0.77 SRC (0.39) KDM4EALDH1A1HPGDTDP1NPSR1

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 KDM4E 456/4885ALDH1A1 3511/4885HPGD 1854/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM4E 456/4885ALDH1A1 3511/4885HPGD 1854/4885

“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.