SCHEMBL30087761

SCHEMBL30087761

CC(=O)Nc1cc(C#N)cc2ccn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.39
▸ XDH P47989 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ GPR35 Q9HC97 4/20 0.37
▸ EGLN2 Q96KS0 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ CACNA1H O95180 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 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
SCHEMBL28600207 1.00 DYRK1A (0.39) DYRK1AXDHKDM1AGPR35EGLN2
SCHEMBL21921428 0.77 XDH (0.37) XDHGPR35EGLN2PGRCACNA1H
SCHEMBL7092888 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL28604998 0.73 RXFP1 (0.35) DYRK1AKDM1AGPR35PGRALDH1A1
SCHEMBL30088006 0.70 XDH (0.46) DYRK1AXDHKDM1AGPR35ALDH1A1
SCHEMBL28601707 0.70 XDH (0.46) DYRK1AXDHKDM1AGPR35ALDH1A1
SCHEMBL11172727 0.68 ALDH1A1 (0.49) DYRK1AKDM1AGPR35ALDH1A1SMN1; SMN2
SCHEMBL14025078 0.68 POLB (0.53) DYRK1AKDM1AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28977558 0.67 CXCR2 (0.50) DYRK1AKDM1AGPR35ALDH1A1SMN1; SMN2
SCHEMBL3552549 0.67 DYRK1A (0.47) DYRK1AKDM1AEGLN2ALDH1A1SMN1; SMN2

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 DYRK1A 1225/4885XDH 2184/4885KDM1A 1706/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 DYRK1A 1225/4885XDH 2184/4885KDM1A 1706/4885

“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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