SCHEMBL4996692

SCHEMBL4996692

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
MIF P14174 1/20 0.38
CFTR P13569 5/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TOP2B Q02880 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
RPS6KA3 P51812 1/20 0.32
RPS6KA2 Q15349 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
SCHEMBL4994016 0.92 CDC7 (0.37) CDC7MIFNPC1SMN1; SMN2KMT2A
SCHEMBL4990572 0.90 CDC7 (0.38) CDC7CFTRNPC1SMN1; SMN2KMT2A
SCHEMBL4996896 0.88 CDC7 (0.45) CDC7PIM1PIM2
SCHEMBL4996334 0.88 CFTR (0.44) CDC7CFTRNPC1SMN1; SMN2KMT2A
SCHEMBL4991786 0.85 CDC7 (0.42) CDC7MIFKMT2AMAPTPIM1
SCHEMBL4997144 0.85 MIF (0.40) CDC7MIFCFTRSMN1; SMN2KMT2A
SCHEMBL4997449 0.85 ALDH1A1 (0.41) CDC7MIFCFTRSMN1; SMN2KMT2A
SCHEMBL4996397 0.84 CDC7 (0.48) CDC7PIM1PIM2RPS6KA2
SCHEMBL5000316 0.84 CDC7 (0.41) CDC7CFTRPIM1PIM2RPS6KA2
SCHEMBL5000039 0.84 ALDH1A1 (0.46) MIFSMN1; SMN2KMT2AMAPTHPGD

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 487/4885MIF 494/4885CFTR 4192/4885

“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.