SCHEMBL21920694

SCHEMBL21920694

O=C(CBr)Nc1cccc2cc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ NR3C2 P08235 1/20 0.49
▸ AR P10275 1/20 0.49
▸ HDAC1 Q13547 5/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ HDAC3 O15379 3/20 0.45
▸ BCHE P06276 3/20 0.42
▸ ATR Q13535 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL30087920 1.00 NR3C1 (0.49) NR3C1PGRNR3C2ARHDAC1
SCHEMBL30088098 0.84 HDAC1 (0.54) NR3C1PGRNR3C2ARHDAC1
SCHEMBL21920728 0.84 HDAC1 (0.54) NR3C1PGRNR3C2ARHDAC1
SCHEMBL27698981 0.80 KEAP1 (0.56) NR3C1PGRNR3C2ARHDAC1
SCHEMBL5497010 0.79 PDPK1 (0.57) NR3C1PGRNR3C2ARHDAC1
SCHEMBL6091339 0.79 NR3C1 (0.57) NR3C1PGRNR3C2ARBACE1
SCHEMBL31456523 0.79 NR3C1 (0.57) NR3C1PGRNR3C2ARBACE1
SCHEMBL30026274 0.79 PDPK1 (0.57) NR3C1PGRNR3C2ARHDAC1
SCHEMBL21920781 0.79 NR3C1 (0.47) NR3C1PGRNR3C2ARHDAC1
SCHEMBL30087923 0.79 NR3C1 (0.47) NR3C1PGRNR3C2ARHDAC1

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 4 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
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 — — 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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 NR3C1 397/4885PGR 2807/4885NR3C2 328/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 NR3C1 397/4885PGR 2807/4885NR3C2 328/4885

“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.

Send feedback