SCHEMBL4996641

SCHEMBL4996641

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(=O)Nc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 3/20 0.42
DHODH Q02127 1/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
ADORA2B P29275 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
ADORA2A P29274 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
SCHEMBL4996880 0.94 DHODH (0.49) MAPTALDH1A1KDM4EDHODHKMT2A
SCHEMBL4991820 0.93 MAPT (0.43) MAPTALDH1A1MAPK1KDM4EKMT2A
SCHEMBL4991409 0.93 MAPT (0.49) MAPTALDH1A1MAPK1KDM4EDHODH
SCHEMBL4996507 0.89 MAPT (0.49) MAPTALDH1A1DHODHKMT2ATDP1
SCHEMBL4999646 0.88 HSD17B1 (0.39) MAPTALDH1A1KDM4EKMT2APOLB
SCHEMBL4991744 0.88 AMY1A (0.46) MAPTALDH1A1MAPK1KDM4EDHODH
SCHEMBL4996040 0.87 CFTR (0.47) MAPTDHODHKMT2AADORA2BSMN1; SMN2
SCHEMBL4991753 0.87 DHODH (0.50) MAPTALDH1A1MAPK1DHODHKMT2A
SCHEMBL4997423 0.86 SMN1; SMN2 (0.49) MAPTALDH1A1MAPK1KDM4EDHODH
SCHEMBL5002321 0.86 CDC7 (0.47) MAPTALDH1A1SMN1; SMN2HSD17B10HPGD

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.