SCHEMBL29487196

SCHEMBL29487196

N#CC(N)c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
DPP4 P27487 2/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALPG P10696 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
SHBG P04278 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
SCHEMBL5660658 1.00 CES2 (0.38) CES2CES1DPP4DPP9DPP7
Hydrochloric Acid SCHEMBL22805502 0.98 CES2 (0.37) CES2CES1DPP4DPP9DPP7
SCHEMBL2834867 0.82 RPS6KB1 (0.40)
SCHEMBL31177530 0.80 MPL (0.38) LMNASMN1; SMN2
SCHEMBL2836620 0.80 KIF11 (0.46)
SCHEMBL28186749 0.79 CES2 (0.38) CES2CES1DPP4ESR1ESR2
SCHEMBL1237669 0.78 CES2 (0.35) CES2CES1
SCHEMBL3718088 0.77 CES2 (0.39) CES2CES1ALDH1A1LMNAALPG
SCHEMBL16563574 0.76 PDE2A (0.58)
SCHEMBL31177502 0.76 PDE2A (0.44)

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-20220370453-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BCDIN3D ACTIVITY STORM THERAPEUTICS LIMITED (GB) 2022-11-24 US disclosed
EP-3986568-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OFBCDIN3D ACTIVITY Storm Therapeutics Ltd (GB) 2022-04-27 EP disclosed
CN-114286711-A Bicyclic heterocyclic compounds as inhibitors of BCDIN3D activity 风暴治疗有限公司 2022-04-05 CN 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 (1 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-20220370453-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BCDIN3D ACTIVITY BCDIN3D, CDK3, CCNI CES2 1688/4885CES1 969/4885DPP4 1204/4885

“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.