SCHEMBL4993789

SCHEMBL4993789

CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MAPT P10636 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2B P29275 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 6/20 0.39
ADRB2 P07550 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 2/20 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
SCHEMBL4997306 0.92 ALDH1A1 (0.48) TP53MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4997568 0.91 MAPT (0.49) TP53MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5002372 0.89 NPC1 (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4991820 0.86 MAPT (0.43) TP53MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4996507 0.86 MAPT (0.49) TP53MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4991802 0.85 LMNA (0.50) TP53MAPTALDH1A1NPSR1MEN1
SCHEMBL4995851 0.84 ADORA2B (0.39) TP53MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5002439 0.83 MAPT (0.42) TP53MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14188647 0.83 CDC7 (0.42) KMT2ALMNA
SCHEMBL4999676 0.83 KMT2A (0.48) MAPTALDH1A1MEN1KMT2APOLB

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 TP53 2285/4885MAPT 1363/4885CYP1A2 1229/4885

“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.