SCHEMBL30009854

SCHEMBL30009854

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
JAK1 P23458 4/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE2A O00408 1/20 0.41
PDE3A Q14432 1/20 0.41
NPC1 O15118 1/20 0.40
AKT2 P31751 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 2/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
PBK Q96KB5 1/20 0.38
JAK2 O60674 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL30009023 0.89 ALDH1A1 (0.43) GAAJAK1KMT2AKDM4EPDE2A
SCHEMBL20918729 0.77 JAK1 (0.75) JAK1
SCHEMBL30355864 0.77 JAK1 (0.75) JAK1
SCHEMBL1982108 0.75 PRKCI (0.52) JAK1PDE2APDE3AAKT2PBK
SCHEMBL29431229 0.74 JAK1 (0.66) JAK1KDM4EMAPTJAK2TYK2
SCHEMBL30009611 0.74 JAK1 (0.64) JAK1JAK2TYK2JAK3
SCHEMBL29431228 0.74 JAK1 (0.66) JAK1KDM4EMAPTJAK2TYK2
SCHEMBL2279760 0.72 JAK3 (0.55) JAK1PDE2APDE3AAKT2JAK2
SCHEMBL12605434 0.70 ROCK1 (0.56) JAK1PDE2APDE3AAKT2PBK
SCHEMBL12605431 0.69 CHEK1 (0.46) JAK1PDE2APDE3AAKT2CHEK1

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 GAA 2187/4885JAK1 83/4885KMT2A 682/4885

“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.