SCHEMBL5000342

SCHEMBL5000342

COc1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 2/20 0.37
TP53 P04637 6/20 0.36
MDM2 Q00987 6/20 0.36
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL14188362 0.89 CDC7 (0.44) CDC7PIM1PIM2CYP1A2CYP3A4
SCHEMBL14188645 0.88 CDC7 (0.43) CDC7PIM1PIM2
SCHEMBL4993334 0.88 CDC7 (0.40) CDC7PIM1PIM2GPR84STK10
SCHEMBL4999698 0.86 CYP1A2 (0.47) CDC7PIM1PIM2CYP1A2CYP3A4
SCHEMBL4997120 0.84 NPC1 (0.44) CDC7TSHRUSP2ALDH1A1LMNA
SCHEMBL5002851 0.84 CDC7 (0.39) CDC7GPR84ALDH1A1LMNASMN1; SMN2
SCHEMBL4991072 0.83 CDC7 (0.43) CDC7PIM1PIM2CYP1A2CYP3A4
SCHEMBL14188513 0.82 CDC7 (0.45) CDC7PIM1PIM2CYP1A2CYP3A4
SCHEMBL4993275 0.82 CDC7 (0.39) CDC7PIM1PIM2
SCHEMBL14188363 0.81 CDC7 (0.47) CDC7PIM1PIM2CYP1A2CYP3A4

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 487/4885PIM1 539/4885PIM2 309/4885

“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.