SCHEMBL4990572

SCHEMBL4990572

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
CFTR P13569 6/20 0.36
LRRK2 Q5S007 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMO O15229 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL4997595 0.92 CDC7 (0.37) CDC7SMN1; SMN2NPC1MAPTKMT2A
SCHEMBL4996692 0.90 CDC7 (0.38) CDC7CFTRSMN1; SMN2NPC1MAPT
SCHEMBL5002688 0.88 CDC7 (0.45) CDC7LRRK2KMOKMT2APIM1
SCHEMBL4996334 0.88 CFTR (0.44) CDC7CFTRSMN1; SMN2NPC1MAPT
SCHEMBL5002851 0.86 CDC7 (0.39) CDC7CFTRLRRK2SMN1; SMN2MAPT
SCHEMBL5002369 0.85 CDC7 (0.42) CDC7LRRK2SMN1; SMN2MAPTKMT2A
SCHEMBL4994795 0.85 ALDH1A1 (0.44) CDC7CFTRSMN1; SMN2MAPTKMT2A
SCHEMBL4993374 0.85 CDC7 (0.39) CDC7CFTRLRRK2KMOKMT2A
SCHEMBL4996452 0.84 CDC7 (0.41) CDC7LRRK2KMOPIM1PIM2
SCHEMBL5002470 0.84 SMN1; SMN2 (0.39) CDC7LRRK2SMN1; SMN2MAPTKMT2A

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 487/4885CFTR 4192/4885LRRK2 577/4885

“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.