SCHEMBL30087787

SCHEMBL30087787

CN(CCO)CC(=O)Nc1cc(C#N)cc2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ XDH P47989 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL28603297 1.00 ALDH1A1 (0.40) ALDH1A1HPGDLMNAKMT2AHTT
SCHEMBL30087782 1.00 ALDH1A1 (0.40) ALDH1A1HPGDLMNAKMT2AHTT
SCHEMBL30087915 0.83 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL28919719 0.83 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL21921426 0.79 BCHE (0.44) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL28604961 0.79 XDH (0.44) XDHSLC22A12GPR35IKBKBCHUK
SCHEMBL30087939 0.79 XDH (0.44) XDHSLC22A12GPR35IKBKBCHUK
SCHEMBL28601707 0.77 XDH (0.46) ALDH1A1HPGDLMNAXDHSLC22A12
SCHEMBL30088006 0.77 XDH (0.46) ALDH1A1HPGDLMNAXDHSLC22A12
SCHEMBL15414664 0.71 VCAM1 (0.48) ALDH1A1LMNAKMT2AHTTMEN1

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 ALDH1A1 2398/4885HPGD 222/4885LMNA 3581/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 ALDH1A1 2398/4885HPGD 222/4885LMNA 3581/4885

“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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