SCHEMBL28605019

SCHEMBL28605019

CN(c1cc(C#N)cc2cc[nH]c12)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ IMPDH1 P20839 1/20 0.40
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ PGR P06401 2/20 0.35
▸ RIPK1 Q13546 1/20 0.33
▸ TYK2 P29597 4/20 0.33
▸ ATIC P31939 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ C1R P00736 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 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
SCHEMBL21920738 0.73 NR3C1 (0.56) XDHSLC22A12IMPDH2IMPDH1IKBKB
SCHEMBL6089123 0.73 NR3C1 (0.51) PGRNR3C1NR3C2ARCYP19A1
SCHEMBL28600154 0.73 PGR (0.32) PGR
SCHEMBL28595643 0.71 BRPF1 (0.34) XDHPGRCYP19A1
SCHEMBL3707241 0.71 IMPDH2 (0.50) XDHSLC22A12IMPDH2IMPDH1IKBKB
SCHEMBL24497666 0.69 PGR (0.39) PGRCYP19A1
SCHEMBL8530077 0.67 IMPDH2 (0.50) XDHSLC22A12IMPDH2IMPDH1IKBKB
SCHEMBL16636645 0.67 IMPDH2 (0.50) XDHSLC22A12IMPDH2IMPDH1IKBKB
SCHEMBL988243 0.67 IMPDH2 (0.50) XDHSLC22A12IMPDH2IMPDH1IKBKB
SCHEMBL24498551 0.67 KMT2A (0.40) PGRARCYP19A1

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 XDH 2184/4885SLC22A12 3779/4885IMPDH2 846/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 XDH 2184/4885SLC22A12 3779/4885IMPDH2 846/4885

“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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