SCHEMBL4994895

SCHEMBL4994895

O=C1NCCn2nc(-c3ccnc(-c4ccc(-c5ccnc(-c6ccccc6)n5)cc4)n3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.56
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTK2B Q14289 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMO Q99835 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL4991016 0.96 CDC7 (0.54) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4990601 0.96 CDC7 (0.56) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4996030 0.91 CDC7 (0.52) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4991294 0.90 CDC7 (0.52) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4995882 0.89 CDC7 (0.49) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4986793 0.89 CDC7 (0.49) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4991418 0.89 CDC7 (0.49) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4995109 0.89 CDC7 (0.54) CDC7MAPTKDM4ENPC1RAB9A
SCHEMBL5002857 0.89 CDC7 (0.54) CDC7KMT2AMEN1MAPTKDM4E
SCHEMBL4994550 0.87 CDC7 (0.52) CDC7PIM1PIM2PARP1PDE4B

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 487/4885KMT2A 1490/4885MEN1 2627/4885

“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.