SCHEMBL28595643

SCHEMBL28595643

CN(c1cc(C#N)cc2ccn(C)c12)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 2/20 0.34
▸ BRD1 O95696 1/20 0.34
▸ CCNE2 O96020 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ TNNI3K Q59H18 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL21921428 0.78 XDH (0.37) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL28607449 0.74 PGR (0.31) PGR
SCHEMBL28605019 0.71 XDH (0.40) XDHPGRCYP19A1
SCHEMBL24497666 0.68 PGR (0.39) PGRCYP19A1
SCHEMBL26519425 0.66 PTGDR2 (0.38) BRPF1BRD1PGRCYP19A1
SCHEMBL24498551 0.66 KMT2A (0.40) PGRCYP19A1
SCHEMBL26545417 0.66 TRPV4 (0.40) BRPF1BRD1PGRCYP19A1
SCHEMBL28600207 0.66 DYRK1A (0.39) XDHPGR
SCHEMBL30087761 0.66 DYRK1A (0.39) XDHPGR
SCHEMBL29686621 0.64 VCAM1 (0.48) CYP19A1

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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 — — US disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 — — US disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 — — 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 (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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 BRPF1 2204/4885BRD1 1069/4885CCNE2 2871/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 BRPF1 2204/4885BRD1 1069/4885CCNE2 2871/4885

“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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