SCHEMBL5002697

SCHEMBL5002697

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
CDC7 O00311 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
NTSR1 P30989 2/20 0.39
MAPT P10636 2/20 0.39
XDH P47989 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
S1PR1 P21453 5/20 0.37
PRMT5 O14744 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 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
SCHEMBL14188586 0.96 CDC7 (0.44) HSD17B10CDC7KDM4EMAPTXDH
SCHEMBL4997120 0.93 NPC1 (0.44) HSD17B10CDC7KDM4EMAPTXDH
SCHEMBL5002321 0.92 CDC7 (0.47) HSD17B10CDC7MAPTALDH1A1HPGD
SCHEMBL5000330 0.88 MAPT (0.41) CDC7KDM4EMAPK1MAPTALDH1A1
SCHEMBL4995825 0.88 CDC7 (0.46) CDC7KDM4EMAPK1MAPTALDH1A1
SCHEMBL14188643 0.88 CDC7 (0.43) HSD17B10CDC7KDM4EALDH1A1GAA
SCHEMBL4997519 0.87 CDC7 (0.45) CDC7KDM4EMAPK1ALDH1A1HPGD
SCHEMBL14188605 0.87 CDC7 (0.43) HSD17B10CDC7KDM4EMAPTALDH1A1
SCHEMBL4994432 0.87 CDC7 (0.43) HSD17B10CDC7KDM4EALDH1A1GAA
SCHEMBL4994799 0.87 KDM4E (0.44) HSD17B10CDC7KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 HSD17B10 2720/4885CDC7 487/4885KDM4E 2647/4885

“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.