SCHEMBL21917176

SCHEMBL21917176

N#Cc1[nH]c2cnccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 8/20 0.50
▸ KDM5A P29375 3/20 0.48
▸ KDM5C P41229 1/20 0.48
▸ KDM5B Q9UGL1 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ TOP1 P11387 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ GABRB3 P28472 1/20 0.44

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
SCHEMBL21917178 0.73 CHUK (0.50) CHUKKDM5AKDM4EGABRPGABRD
SCHEMBL27075645 0.70 CHUK (0.50) CHUKKDM5AKDM4EGABRPGABRD
SCHEMBL12396541 0.70 CHUK (0.78) CHUKKDM5AKDM4EGABRPGABRD
SCHEMBL30322777 0.70 CHUK (0.78) CHUKKDM5AKDM4EGABRPGABRD
SCHEMBL23885176 0.69 KDM5A (0.55) CHUKKDM5AKDM5CKDM5BKDM4E
SCHEMBL22554147 0.69 CHEK1 (0.49) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL30731156 0.69 CHEK1 (0.49) AURKAGABRA1GABRG2GABRB3GABRA5
SCHEMBL22871658 0.68 KDM5A (0.75) CHUKKDM5AKDM5CKDM5BKDM4E
SCHEMBL3036523 0.68 MAP2 (0.51) CHUKKDM5AKDM5CKDM5BKDM4E
SCHEMBL4826488 0.68 CHUK (0.79) CHUKKDM5AKDM5CKDM5BKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3801499-B1 INHIBITORS OF SARM1 DISARM THERAPEUTICS INC (US) 2024-02-28 — — EP disclosed
US-20220194933-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. 2022-06-23 — — US disclosed
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 — — US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 — — US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 — — WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 — — 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 (3 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 CHUK 2302/4885KDM5A 3518/4885KDM5C 3800/4885
US-20220194933-A1 INHIBITORS OF SARM1 SARM1, SMN1; SMN2, SARNP CHUK 1147/4885KDM5A 4021/4885KDM5C 3850/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP CHUK 1016/4885KDM5A 4243/4885KDM5C 4244/4885

“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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