SCHEMBL30009023

SCHEMBL30009023

CCCCNC(=S)N1CCC(c2ccnc3[nH]ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK1 P23458 3/20 0.40
JAK2 O60674 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
PDE2A O00408 1/20 0.39
PDE3A Q14432 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKT2 P31751 1/20 0.37
HSD11B1 P28845 1/20 0.37
CHEK1 O14757 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL30009854 0.89 GAA (0.45) ALDH1A1GAAHTTKMT2AJAK1
SCHEMBL30355907 0.78 JAK1 (0.63) JAK1
SCHEMBL1982108 0.72 PRKCI (0.52) JAK1JAK2PDE2APDE3AAKT2
SCHEMBL4054113 0.72 JAK2 (0.52) JAK1JAK2PDE2APDE3A
SCHEMBL29431228 0.71 JAK1 (0.66) JAK1JAK2MAPTKDM4E
SCHEMBL29431229 0.71 JAK1 (0.66) JAK1JAK2MAPTKDM4E
SCHEMBL30009611 0.71 JAK1 (0.64) JAK1JAK2
SCHEMBL30009416 0.69 JAK1 (0.46) JAK1JAK2PDE2APDE3A
SCHEMBL2279760 0.69 JAK3 (0.55) JAK1JAK2PDE2APDE3AAKT2
SCHEMBL30355864 0.67 JAK1 (0.75) JAK1

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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 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-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 ALDH1A1 4182/4885GAA 2187/4885HTT 1034/4885

“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.