SCHEMBL4991409

SCHEMBL4991409

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
DHODH Q02127 7/20 0.43
KDM4E B2RXH2 3/20 0.43
GLO1 Q04760 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
S1PR1 P21453 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4991753 0.94 DHODH (0.50) MAPTALDH1A1MAPK1DHODHSMN1; SMN2
SCHEMBL4996641 0.93 MAPT (0.44) MAPTALDH1A1MAPK1DHODHKDM4E
SCHEMBL4991820 0.91 MAPT (0.43) MAPTALDH1A1MAPK1KDM4EADORA2A
SCHEMBL4991744 0.90 AMY1A (0.46) MAPTALDH1A1MAPK1DHODHKDM4E
SCHEMBL4997423 0.90 SMN1; SMN2 (0.49) MAPTALDH1A1MAPK1DHODHKDM4E
SCHEMBL4997131 0.90 KMT2A (0.52) MAPTALDH1A1MAPK1DHODHLMNA
SCHEMBL4999618 0.89 ALDH1A1 (0.50) MAPTALDH1A1MAPK1DHODHLMNA
SCHEMBL4999860 0.89 HTT (0.45) MAPTALDH1A1MAPK1DHODHKDM4E
SCHEMBL4993519 0.88 POLB (0.45) MAPTALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL5002390 0.88 ALDH1A1 (0.39) MAPTALDH1A1MAPK1DHODHKDM4E

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 MAPT 1363/4885ALDH1A1 4153/4885MAPK1 41/4885

“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.