SCHEMBL18108564

SCHEMBL18108564

Cn1nc(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MAP3K8 P41279 2/20 0.44
PTGER1 P34995 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
POLB P06746 2/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1D P48730 1/20 0.42

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
SCHEMBL348602 0.77 KDM4E (1.00) KDM4EALDH1A1L3MBTL1POLBHPGD
SCHEMBL2997472 0.72 ALDH1A1 (0.44) KDM4EALDH1A1MAP3K8PTGER1LMNA
SCHEMBL121334 0.70 L3MBTL1 (0.59) KDM4EALDH1A1TP53L3MBTL1POLB
SCHEMBL732828 0.70 HPGD (0.58) KDM4EALDH1A1PTGER1L3MBTL1HPGD
Acetic Acid SCHEMBL15622681 0.68 KMT2A (0.57) KDM4EALDH1A1PTGER1LMNAL3MBTL1
SCHEMBL18108818 0.68 MAP2K4 (0.47) KDM4EALDH1A1MAP3K8LMNATP53
SCHEMBL2992098 0.67 ALAD (0.40) KDM4EALDH1A1LMNATP53L3MBTL1
SCHEMBL14075019 0.66 KDM4E (0.77) KDM4EALDH1A1LMNATP53POLB
SCHEMBL9956863 0.66 KMT2A (0.67) KDM4EALDH1A1LMNATP53GSK3A
SCHEMBL10960207 0.66 KDM4E (0.49) KDM4EALDH1A1PTGER1LMNATP53

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-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 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-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same TNIK, TNNI3K, TNK1 KDM4E 2206/4885ALDH1A1 4754/4885MAP3K8 149/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 KDM4E 1268/4885ALDH1A1 4774/4885MAP3K8 144/4885

“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.