SCHEMBL29135473

SCHEMBL29135473

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Cl)cc(Br)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 1/20 0.46
▸ SMARCA4 P51532 1/20 0.46
▸ PBRM1 Q86U86 1/20 0.46
▸ ABCB1 P08183 1/20 0.44
▸ GPR119 Q8TDV5 11/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ SETD7 Q8WTS6 1/20 0.39
▸ STS P08842 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPT P10636 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
SCHEMBL27167140 0.84 ADAMTS5 (0.44) ADAMTS5MMP2
SCHEMBL24485876 0.82 CKS1B (0.48) GPR119STSMEN1KMT2AKCNH2
SCHEMBL38664512 0.81 SMARCA2 (0.48) SMARCA2SMARCA4PBRM1ABCB1GPR119
SCHEMBL17871504 0.81 MMP2 (0.51) SMARCA2SMARCA4PBRM1ABCB1GPR119
SCHEMBL17871501 0.81 MMP2 (0.51) SMARCA2SMARCA4PBRM1ABCB1GPR119
SCHEMBL30005593 0.81 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1GPR119ADAMTS5
SCHEMBL30005481 0.81 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1GPR119ADAMTS5
SCHEMBL22720339 0.80 ABCB1 (0.45) SMARCA2SMARCA4PBRM1ABCB1GPR119
SCHEMBL22720337 0.80 ABCB1 (0.45) SMARCA2SMARCA4PBRM1ABCB1GPR119
SCHEMBL24851280 0.80 SMARCA2 (0.45) SMARCA2SMARCA4PBRM1ABCB1GPR119

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-20260035367-A1 PKC-Theta Modulators CELGENE CORPORATION (US) 2026-02-05 — — US disclosed
US-20240262821-A1 PKC-Theta Modulators EXSCIENTIA AL LIMITED (GB) 2024-08-08 — — US disclosed
EP-4333982-A1 PKC-THETA MODULATORS Exscientia Al Limited (GB) 2024-03-13 — — EP disclosed
CN-117355522-A PKC-theta modulators 爱智药人工智能有限公司 2024-01-05 — — CN disclosed
WO-2022234298-A1 PKC-THETA MODULATORS EXSCIENTIA AI LIMITED (GB) 2022-11-10 — — WO 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-20260035367-A1 PKC-Theta Modulators PRKAR2B, PRKAR2A, PRKCD SMARCA2 3562/4885SMARCA4 4326/4885PBRM1 2113/4885
US-20240262821-A1 PKC-Theta Modulators PRKCQ, PRKCH, PRKCE SMARCA2 1889/4885SMARCA4 2296/4885PBRM1 2725/4885

“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.

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