SCHEMBL4990601

SCHEMBL4990601

O=C1NCCn2nc(-c3ccnc(-c4ccccc4)n3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.56
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PARP1 P09874 4/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4B Q07343 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
COMT P21964 1/20 0.35
PTK2B Q14289 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
SCHEMBL4991016 0.98 CDC7 (0.54) CDC7PIM1PIM2PARP1KMT2A
SCHEMBL4994895 0.96 CDC7 (0.56) CDC7PIM1PIM2PARP1KMT2A
SCHEMBL4991294 0.93 CDC7 (0.52) CDC7PIM1PIM2PARP1KMT2A
SCHEMBL4994550 0.91 CDC7 (0.52) CDC7PIM1PIM2PARP1PDE4B
SCHEMBL4995882 0.90 CDC7 (0.49) CDC7PIM1PIM2PARP1KMT2A
SCHEMBL4986793 0.90 CDC7 (0.49) CDC7PIM1PIM2KMT2ANPC1
SCHEMBL4991418 0.90 CDC7 (0.49) CDC7PIM1PIM2PARP1KMT2A
SCHEMBL4991763 0.88 CDC7 (0.52) CDC7PIM1PIM2KMT2AMEN1
SCHEMBL4995695 0.88 CDC7 (0.52) CDC7PIM1PIM2PARP1
SCHEMBL5002475 0.88 CDC7 (0.47) CDC7PIM1PIM2PARP1KMT2A

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.