SCHEMBL21919863

SCHEMBL21919863

O=C(O)[C@@H]1CC[C@@]2(CNc3ncc(Br)c(Cl)c32)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 14/20 0.45
▸ CYP3A4 P08684 1/20 0.35
▸ GRM2 Q14416 2/20 0.30
▸ GRM3 Q14832 2/20 0.30
▸ GRM4 Q14833 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ GRM8 O00222 1/20 0.30
▸ GRM6 O15303 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ GRM1 Q13255 1/20 0.30
▸ PLCB1 Q9NQ66 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL28614186 1.00 MAP4K1 (0.45) MAP4K1CYP3A4GRM2GRM3GRM4
SCHEMBL30087946 1.00 MAP4K1 (0.45) MAP4K1CYP3A4GRM2GRM3GRM4
Hydrochloric Acid SCHEMBL30088084 0.99 MAP4K1 (0.44) MAP4K1CYP3A4
SCHEMBL21919955 0.93 MAP4K1 (0.40) MAP4K1CYP3A4CYP2C19
SCHEMBL21920575 0.89 MAP4K1 (0.55) MAP4K1CYP3A4
SCHEMBL30088154 0.89 MAP4K1 (0.55) MAP4K1CYP3A4
SCHEMBL28604915 0.89 MAP4K1 (0.55) MAP4K1CYP3A4
SCHEMBL21920561 0.86 MAP4K1 (0.57) MAP4K1CYP3A4
SCHEMBL21920594 0.86 MAP4K1 (0.51) MAP4K1CYP3A4
SCHEMBL21920556 0.86 MAP4K1 (0.45) MAP4K1CYP3A4

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
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 MAP4K1 36/4885CYP3A4 3696/4885GRM2 2455/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 MAP4K1 36/4885CYP3A4 3696/4885GRM2 2455/4885

“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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