SCHEMBL21921488

SCHEMBL21921488

Cn1cccc(-c2cccc(Br)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 0.38
▸ BRD4 O60885 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ ITGB7 P26010 1/20 0.36

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
SCHEMBL21508055 0.81 OPRD1 (0.47) MAOBITGB1ITGA4BRD4SMN1; SMN2
SCHEMBL29348780 0.81 HRH3 (0.43) MAOBITGB1ITGA4BRD4SMN1; SMN2
SCHEMBL11575773 0.78 KDM4E (0.54) ITGB1ITGA4BRD4SMN1; SMN2GAA
SCHEMBL8231701 0.76 HTR7 (0.41) ITGB1ITGA4BRD4SMN1; SMN2KDM4E
SCHEMBL3920748 0.76 BRD4 (0.55) MAOBTGFBR1BRD4SMN1; SMN2GAA
SCHEMBL24195926 0.74 ALDH1A1 (0.48) ITGB1ITGA4BRD4SMN1; SMN2MAPT
SCHEMBL28937854 0.74 BRD4 (0.42) MAOBITGB1ITGA4BRD4MEN1
SCHEMBL20506963 0.74 BRD4 (0.64) BRD4
SCHEMBL21920360 0.74 LIPG (0.41) ITGB1ITGA4BRD4ITGB7
SCHEMBL26953454 0.73 HRH3 (0.38) ITGB1ITGA4BRD4SMN1; SMN2KDM4E

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 MAOB 3868/4885TGFBR1 4059/4885ITGB1 4335/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 MAOB 3868/4885TGFBR1 4059/4885ITGB1 4335/4885

“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