SCHEMBL4999618

SCHEMBL4999618

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
DHODH Q02127 3/20 0.45
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 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
SCHEMBL4999586 0.94 DHODH (0.52) ALDH1A1DHODHKMT2ALMNAADORA2A
SCHEMBL4993519 0.93 POLB (0.45) ALDH1A1LMNAPOLBL3MBTL1MAPT
SCHEMBL4991409 0.89 MAPT (0.49) ALDH1A1DHODHKMT2ALMNAMAPT
SCHEMBL5002309 0.89 ALDH1A1 (0.47) ALDH1A1DHODHKMT2ALMNAPOLB
SCHEMBL5002697 0.87 HSD17B10 (0.41) ALDH1A1TSHRLMNAL3MBTL1MAPT
SCHEMBL4994851 0.87 APP (0.46) ALDH1A1DHODHKMT2ATSHRPOLB
SCHEMBL4999860 0.86 HTT (0.45) ALDH1A1DHODHKMT2ALMNAPOLB
SCHEMBL4991744 0.86 AMY1A (0.46) ALDH1A1DHODHKMT2ALMNAPOLB
SCHEMBL5002321 0.85 CDC7 (0.47) ALDH1A1MAPT
SCHEMBL4997131 0.85 KMT2A (0.52) ALDH1A1DHODHKMT2ATSHRLMNA

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 ALDH1A1 4153/4885DHODH 2517/4885KMT2A 1490/4885

“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.