SCHEMBL20162146

SCHEMBL20162146

O=C(Nc1cn(Cc2ccccc2)cn1)c1ccc2c(c1)CCN(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.51
RIPK1 Q13546 4/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
TMPRSS2 O15393 4/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MAP3K5 Q99683 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
NAMPT P43490 2/20 0.41
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL20364363 0.88 ESR2 (0.48) TAS2R8RIPK1CDK5CDK5R1MAP3K5
SCHEMBL20364403 0.83 TAS2R8 (0.53) TAS2R8TMPRSS2SMN1; SMN2MAP3K5HDAC6
SCHEMBL20367488 0.81 KDM4C (0.47) TAS2R8KDM4CNAMPTCYP3A4
SCHEMBL20170243 0.81 ESR2 (0.47) TAS2R8CDK5CDK5R1MAP3K5NAMPT
SCHEMBL20364387 0.81 TAS2R8 (0.56) TAS2R8MAP3K5CYP3A4
Trifluoroacetic Acid SCHEMBL20162135 0.80 KDM4C (0.46) TAS2R8KDM4CNAMPTCYP3A4
SCHEMBL20162127 0.80 TAS2R8 (0.47) TAS2R8TMPRSS2MAP3K5HDAC6HDAC8
SCHEMBL20364347 0.79 TAS2R8 (0.49) TAS2R8MAP3K5HDAC6HDAC8
SCHEMBL19304279 0.78 CDK5 (0.58) RIPK1CDK5CDK5R1SMN1; SMN2KDM5A
SCHEMBL20162109 0.78 TAS2R8 (0.49) TAS2R8KDM4CNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885RIPK1 3470/4885CDK5 355/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 TAS2R8 2479/4885RIPK1 3470/4885CDK5 355/4885

“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.