SCHEMBL21657780

SCHEMBL21657780

CC(C)N1C(=O)OCC1Br

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38

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
SCHEMBL22451079 0.78 PIK3CD (0.37) PIK3CD
SCHEMBL21143089 0.77 PIK3CD (0.39) PIK3CD
SCHEMBL10130714 0.77 PIK3CD (0.39) PIK3CD
SCHEMBL23634010 0.77 PIK3CD (0.39) PIK3CD
SCHEMBL15429773 0.75 PIK3CD (0.55) PIK3CD
SCHEMBL24456873 0.75 PIK3CD (0.38) PIK3CD
SCHEMBL10308833 0.75 PIK3CD (0.55) PIK3CD
SCHEMBL18391318 0.75 PIK3CD (0.55) PIK3CD
SCHEMBL23634011 0.72 IDH1 (0.36) PIK3CD
SCHEMBL23634006 0.72 PIK3CD (0.40) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144836-A1 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL-MYERS SQUIBB COMPANY 2022-05-12 US disclosed
US-10550087-B2 Process for the preparation of kinase inhibitors and intermediates thereof AERIE PHARMACEUTICALS, INC. (US) 2020-02-04 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-10550087-B2 Process for the preparation of kinase inhibitors and intermediates thereof MAP3K1, MAP3K6, MAP3K7 PIK3CD 103/4885
US-20220144836-A1 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE CYP2D6, CYP1B1, CYP2B6 PIK3CD 2112/4885

“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.