SCHEMBL4994016

SCHEMBL4994016

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.37
KMT2A Q03164 4/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HCRTR1 O43613 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
SLC5A1 P13866 2/20 0.32
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SREBF2 Q12772 1/20 0.32
LMNA P02545 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL4996692 0.92 CDC7 (0.38) CDC7KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL4997595 0.91 CDC7 (0.37) CDC7KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL4991902 0.89 CDC7 (0.43) CDC7KMT2ASMN1; SMN2HCRTR1MEN1
SCHEMBL4991303 0.87 HPGD (0.44) CDC7KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL5000323 0.87 CDC7 (0.42) CDC7KMT2ASMN1; SMN2MEN1POLB
SCHEMBL5002390 0.86 ALDH1A1 (0.39) CDC7KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL4995460 0.86 ALDH1A1 (0.41) CDC7KMT2AKEAP1NFE2L2MEN1
SCHEMBL4996355 0.85 CDC7 (0.41) CDC7KMT2ASMN1; SMN2HCRTR1MEN1
SCHEMBL5002309 0.85 ALDH1A1 (0.47) KMT2AHPGDSMN1; SMN2MEN1POLB
SCHEMBL4999834 0.85 CDC7 (0.40) CDC7KMT2ASMN1; SMN2MEN1POLB

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 CDC7 487/4885KMT2A 1490/4885HPGD 664/4885

“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.