SCHEMBL30087939

SCHEMBL30087939

N#Cc1cc(NC(=O)CBr)c2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ GPR35 Q9HC97 4/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ GRM5 P41594 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ DHPS P49366 1/20 0.32
▸ PTPRC P08575 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ PTPRE P23469 1/20 0.32

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
SCHEMBL28604961 1.00 XDH (0.44) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL21921435 0.84 XDH (0.39) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL28601707 0.82 XDH (0.46) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL30088006 0.82 XDH (0.46) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL28610110 0.80 ROCK2 (0.40) IKBKBCHUKROCK2GRM5
SCHEMBL30087866 0.80 ROCK2 (0.40) IKBKBCHUKROCK2GRM5
SCHEMBL28603297 0.79 ALDH1A1 (0.40) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL30087782 0.79 ALDH1A1 (0.40) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL30087787 0.79 ALDH1A1 (0.40) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL21920694 0.75 NR3C1 (0.49) GRM5PTPRCPTPN2PTPN1PTPRB

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 2 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

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 3779/4885IKBKB 291/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 XDH 2184/4885SLC22A12 3779/4885IKBKB 291/4885

“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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