SCHEMBL4997095

SCHEMBL4997095

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.54
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
PARP1 P09874 2/20 0.41
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPKAPK2 P49137 3/20 0.36
RPS6KA2 Q15349 1/20 0.35
SCN9A Q15858 2/20 0.35
MAPK1 P28482 2/20 0.34
TP53 P04637 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5000455 0.91 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4991035 0.88 CDC7 (0.52) CDC7PARP1PIM1PIM2GAA
SCHEMBL4991458 0.88 CDC7 (0.54) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4999721 0.88 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4991016 0.88 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4991854 0.88 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4995841 0.88 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4996811 0.88 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4996834 0.88 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4990601 0.88 CDC7 (0.56) CDC7MEN1KMT2ANPC1RAB9A

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 487/4885MEN1 2627/4885KMT2A 1490/4885

“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.