SCHEMBL4997449

SCHEMBL4997449

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
CDC7 O00311 1/20 0.39
MIF P14174 2/20 0.38
GAA P10253 1/20 0.38
PLAU P00749 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CFTR P13569 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4995460 0.93 ALDH1A1 (0.41) ALDH1A1MAPK1CDC7MIFGAA
SCHEMBL4993374 0.90 CDC7 (0.39) ALDH1A1CDC7GAAPLAUCFTR
SCHEMBL4991786 0.89 CDC7 (0.42) MAPK1CDC7MIFGAAMEN1
SCHEMBL4996896 0.89 CDC7 (0.45) CDC7
SCHEMBL4999813 0.87 CDC7 (0.41) ALDH1A1CDC7MIFGAASMN1; SMN2
SCHEMBL4993219 0.87 CDC7 (0.42) ALDH1A1CDC7GAACFTRMEN1
SCHEMBL4997144 0.87 MIF (0.40) ALDH1A1MAPK1CDC7MIFSMN1; SMN2
SCHEMBL4997398 0.87 CDC7 (0.40) ALDH1A1CDC7MIFGAASMN1; SMN2
SCHEMBL4997586 0.86 KMT2A (0.39) ALDH1A1CDC7MIFMEN1KMT2A
SCHEMBL5000039 0.86 ALDH1A1 (0.46) ALDH1A1MIFGAASMN1; SMN2MEN1

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 ALDH1A1 4153/4885MAPK1 41/4885CDC7 487/4885

“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.