SCHEMBL4996334

SCHEMBL4996334

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.44
HPGD P15428 1/20 0.42
KMT2A Q03164 4/20 0.41
CDC7 O00311 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4991303 0.92 HPGD (0.44) CFTRHPGDKMT2ACDC7MAPT
SCHEMBL14188457 0.88 CDC7 (0.50) CFTRCDC7
SCHEMBL4996692 0.88 CDC7 (0.38) CFTRHPGDKMT2ACDC7MAPT
SCHEMBL4990572 0.88 CDC7 (0.38) CFTRKMT2ACDC7MAPTLMNA
SCHEMBL4997120 0.85 NPC1 (0.44) CFTRHPGDKMT2ACDC7MAPT
SCHEMBL5000113 0.84 CDC7 (0.46) CFTRCDC7
SCHEMBL4997114 0.84 CDC7 (0.46) CFTRKMT2ACDC7MAPTNPC1
SCHEMBL4997610 0.84 MRGPRX4 (0.43) CFTRCDC7TP53NPC1SMN1; SMN2
SCHEMBL4994961 0.84 CDC7 (0.44) CFTRKMT2ACDC7MAPTMEN1
SCHEMBL4995825 0.83 CDC7 (0.46) CFTRHPGDKMT2ACDC7MAPT

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 CFTR 4192/4885HPGD 664/4885KMT2A 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.