SCHEMBL16611405

SCHEMBL16611405

Cn1cc(-c2cn(C3CCCC3)c3c(C#N)c[nH]c(=O)c23)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
CREBBP Q92793 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM5A P29375 2/20 0.36
RET P07949 6/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.35
XDH P47989 1/20 0.35
LRRK2 Q5S007 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL16611359 0.90 KDM5A (0.42) BMPR1AACVRL1ACVR1JAK2KDM5A
SCHEMBL16610735 0.89 KDM5A (0.42) BMPR1AACVRL1ACVR1JAK2KDM5A
SCHEMBL16611071 0.86 JAK1 (0.35) BMPR1AACVRL1ACVR1CREBBPJAK2
SCHEMBL16611490 0.86 KDM5A (0.42) CREBBPJAK2JAK1KDM5ARET
SCHEMBL16610767 0.84 MTOR (0.36) JAK2JAK1KDM5APIK3CAXDH
SCHEMBL16611308 0.83 ALK (0.35) BMPR1AACVRL1ACVR1CREBBPJAK2
SCHEMBL16610802 0.83 SRC (0.41) KDM5AXDHLRRK2
SCHEMBL16611032 0.82 BMPR1A (0.37) BMPR1AACVRL1ACVR1JAK2JAK1
SCHEMBL16611598 0.82 XDH (0.38) AURKATTKAURKBINCENPKDM5A
SCHEMBL16611028 0.79 LRRK2 (0.42) PIK3CAPIK3CDXDHLRRK2

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 5 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-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 BMPR1A 2893/4885ACVRL1 961/4885ACVR1 663/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BMPR1A 2893/4885ACVRL1 961/4885ACVR1 663/4885

“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.