SCHEMBL25514830

SCHEMBL25514830

COc1c(C)cc(N)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
IKBKB O14920 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PARP1 P09874 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PKM P14618 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL5326571 0.85 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL25514839 0.85 KDM4E (0.39) NNMTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1361427 0.84 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL12505480 0.83 NNMT (0.50) NNMTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20588519 0.81 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL4580680 0.81 NNMT (0.45) NNMTALDH1A1KDM4ETDP1IKBKB
SCHEMBL31095381 0.81 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL11376525 0.81 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL15490200 0.80 IKBKB (0.38) NNMTALDH1A1KDM4EMEN1KMT2A
SCHEMBL347496 0.79 NNMT (0.46) NNMTALDH1A1KDM4EMEN1KMT2A

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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A NNMT 2801/4885ALDH1A1 980/4885KDM4E 507/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A NNMT 2801/4885ALDH1A1 980/4885KDM4E 507/4885

“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.