SCHEMBL16611632

SCHEMBL16611632

COc1ncc(C#N)c2c1c(-c1cnn(C3CCCC3)c1)cn2C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.38
KDM5A P29375 2/20 0.38
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
RET P07949 4/20 0.35
SRC P12931 3/20 0.35
ABL1 P00519 2/20 0.35
EGFR P00533 2/20 0.35
ABL2 P42684 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CHEK1 O14757 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 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
SCHEMBL16611022 0.99 LRRK2 (0.38) LRRK2KDM5ABMPR1AACVRL1ACVR1
SCHEMBL16611724 0.91 RET (0.40) BMPR1AACVRL1ACVR1RETCHEK1
SCHEMBL16611003 0.86 PIK3CG (0.36) RETSRCABL1EGFRABL2
SCHEMBL16611226 0.85 SRC (0.44) SRCABL1EGFRABL2
SCHEMBL16611024 0.85 KDM5A (0.36) LRRK2KDM5ARETSRCABL1
SCHEMBL16610728 0.84 ROCK2 (0.35) SRCABL1EGFRABL2
SCHEMBL16610877 0.84 SRC (0.46) RETSRCABL1EGFRABL2
SCHEMBL16611505 0.83 SRC (0.39) RETSRCABL1EGFRABL2
SCHEMBL16610920 0.82 ABL1 (0.35) RETSRCABL1EGFRABL2
SCHEMBL16610732 0.81 SRC (0.39) RETSRCABL1EGFRABL2

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 LRRK2 1393/4885KDM5A 132/4885BMPR1A 2893/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LRRK2 1393/4885KDM5A 132/4885BMPR1A 2893/4885

“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.