SCHEMBL4995841

SCHEMBL4995841

O=C1NCCn2nc(-c3ccnc(-c4ccc(O)cc4)n3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.54
NPC1 O15118 4/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 4/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPKAPK2 P49137 4/20 0.36
MGLL Q99685 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PRNP P04156 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
MAP4K4 O95819 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
SCHEMBL4993179 0.99 CDC7 (0.53) CDC7NPC1RAB9AMEN1KMT2A
SCHEMBL14188649 0.91 CDC7 (0.50) CDC7NPC1RAB9AMEN1KMT2A
SCHEMBL14188533 0.91 CDC7 (0.54) CDC7NPC1RAB9AMEN1KMT2A
SCHEMBL14188471 0.88 CDC7 (0.52) CDC7NPC1RAB9AMEN1KMT2A
SCHEMBL4991763 0.88 CDC7 (0.52) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4996834 0.88 CDC7 (0.54) CDC7NPC1RAB9AMEN1KMT2A
SCHEMBL4991458 0.88 CDC7 (0.54) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4999721 0.88 CDC7 (0.54) CDC7NPC1RAB9AMEN1KMT2A
SCHEMBL4991016 0.88 CDC7 (0.54) CDC7NPC1RAB9AMEN1KMT2A
SCHEMBL4996811 0.88 CDC7 (0.54) CDC7NPC1RAB9AMEN1KMT2A

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 487/4885NPC1 3564/4885RAB9A 1827/4885

“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.