SCHEMBL29330535

SCHEMBL29330535

Cc1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
JAK2 O60674 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ROCK2 O75116 5/20 0.45
GRK2 P25098 4/20 0.45
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
AOC3 Q16853 2/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL26107873 0.87 HDAC3 (0.65) HDAC3HDAC6NCOR2AOC3
SCHEMBL1436121 0.81 NR1H2 (0.61) HDAC3HDAC6NCOR2L3MBTL1HPGDS
SCHEMBL1039187 0.81 NR1H2 (0.59) HDAC3HDAC6NCOR2KDM4EAOC3
SCHEMBL15299350 0.78 HDAC3 (0.60) HDAC3HDAC6NCOR2AOC3
SCHEMBL1040640 0.78 HDAC3 (0.56) HDAC3HDAC6NCOR2KDM4EAOC3
SCHEMBL4859334 0.78 NR1H2 (0.56) HDAC3HDAC6NCOR2AOC3
SCHEMBL1041002 0.77 HDAC3 (0.55) HDAC3HDAC6NCOR2KDM4EAOC3
SCHEMBL1435798 0.77 SMN1; SMN2 (0.63) JAK2KDM4EMAPK8MAPK9
SCHEMBL11589319 0.77 NR1H2 (0.67) JAK2KDM4EL3MBTL1HPGDS
SCHEMBL2769054 0.75 JAK2 (0.49) JAK2KDM4EL3MBTL1ROCK2GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 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 (1 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-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP HDAC3 1779/4885HDAC6 534/4885NCOR2 661/4885

“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.