SCHEMBL4996507

SCHEMBL4996507

CCOC(=O)c1ccc(NC(=O)COc2ccc(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
USP2 O75604 1/20 0.43
ADORA2B P29275 1/20 0.43
TP53 P04637 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CFTR P13569 1/20 0.41
DHODH Q02127 1/20 0.41
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4991820 0.96 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4996880 0.92 DHODH (0.49) MAPTADORA2BKMT2AMEN1SMN1; SMN2
SCHEMBL4996040 0.91 CFTR (0.47) MAPTADORA2BKMT2AMEN1SMN1; SMN2
SCHEMBL5002439 0.90 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4991753 0.90 DHODH (0.50) MAPTADORA2BKMT2AMEN1SMN1; SMN2
SCHEMBL4996641 0.89 MAPT (0.44) MAPTUSP2ADORA2BKMT2AMEN1
SCHEMBL4997568 0.87 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4991409 0.87 MAPT (0.49) MAPTUSP2ADORA2BKMT2AMEN1
SCHEMBL4993789 0.86 TP53 (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4995851 0.86 ADORA2B (0.39) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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 1363/4885CYP1A2 1229/4885CYP3A4 2609/4885

“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.