SCHEMBL4994460

SCHEMBL4994460

COc1ccc(O)c(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
CYP19A1 P11511 1/20 0.41
NPC1 O15118 4/20 0.40
RPS6KA2 Q15349 3/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
IDH1 O75874 1/20 0.38
PARP1 P09874 1/20 0.37
GUSB P08236 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RYR2 Q92736 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 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
SCHEMBL4995806 0.89 CDC7 (0.45) CDC7RPS6KA2PIM1PIM2IDH1
SCHEMBL14188389 0.89 CDC7 (0.45) CDC7RPS6KA2PIM1PIM2PARP1
SCHEMBL14188567 0.88 CDC7 (0.44) CDC7NPC1RPS6KA2PIM1PIM2
SCHEMBL14188348 0.87 CDC7 (0.45) CDC7RPS6KA2PIM1PIM2PARP1
SCHEMBL4991121 0.87 CDC7 (0.45) CDC7RPS6KA2PIM1PIM2IDH1
SCHEMBL14188562 0.86 CDC7 (0.48) CDC7NPC1PIM1PIM2PARP1
SCHEMBL14188489 0.86 CDC7 (0.44) CDC7RPS6KA2PIM1PIM2IDH1
SCHEMBL4990948 0.85 SMN1; SMN2 (0.42) CDC7RPS6KA2PIM1PIM2IDH1
SCHEMBL14188596 0.85 CDC7 (0.46) CDC7CYP19A1RPS6KA2PIM1PIM2
SCHEMBL14188487 0.85 CDC7 (0.46) CDC7PIM1PIM2PARP1MAPT

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 487/4885CYP19A1 2864/4885NPC1 3564/4885

“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.