SCHEMBL16699039

SCHEMBL16699039

Cn1ccc(N2CCC(C#N)C2=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
USP30 Q70CQ3 1/20 0.32
CFD P00746 1/20 0.32
GRM4 Q14833 2/20 0.31
GRM5 P41594 1/20 0.31
TYK2 P29597 1/20 0.31
LRRK2 Q5S007 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
BMPR1A P36894 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30
FPR1 P21462 1/20 0.30

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
SCHEMBL16699128 0.79 DDB1 (0.36) DDB1CRBNGRM4KDM4EALDH1A1
SCHEMBL16699036 0.79 DDB1 (0.36) DDB1CRBNGRM4KDM4EALDH1A1
SCHEMBL20992203 0.78 DDB1 (0.35) DDB1CRBNGRM4SMN1; SMN2BMPR1A
SCHEMBL892791 0.74 PTPN1 (0.38) DDB1CRBNUSP30CFDGRM4
SCHEMBL892973 0.72 JMJD6 (0.34) DDB1CRBNCFDKDM4EALDH1A1
SCHEMBL16699290 0.67 CRHR1 (0.40) DDB1CRBNGRM4KDM4EALDH1A1
SCHEMBL17807625 0.67
SCHEMBL1534221 0.67 HDAC6 (0.43) LMNASMN1; SMN2FPR1FPR2
SCHEMBL15219419 0.66 CCNC (0.41) DDB1CRBNSMN1; SMN2
SCHEMBL19306950 0.65 SMYD3 (0.47) ALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 US 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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 DDB1 826/4885CRBN 740/4885USP30 2421/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 DDB1 826/4885CRBN 740/4885USP30 2421/4885

“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.