SCHEMBL5002603

SCHEMBL5002603

O=C1NCCn2nc(-c3ccnc(-c4ccc(-c5nc6ccccc6s5)cc4)n3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP2 O95551 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 3/20 0.40
APP P05067 4/20 0.40
LMNA P02545 2/20 0.40
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 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 0.84 CDC7 (0.54) CDC7NPC1RAB9ANPSR1KMT2A
SCHEMBL4990601 0.84 CDC7 (0.56) CDC7NPC1RAB9ANPSR1KMT2A
SCHEMBL4994895 0.83 CDC7 (0.56) CDC7NPC1RAB9ANPSR1KMT2A
SCHEMBL4996176 0.83 CDC7 (0.54) CDC7NPC1RAB9ANPSR1PKM
SCHEMBL4996535 0.82 CDC7 (0.49) CDC7NPC1RAB9ATDP2ALDH1A1
SCHEMBL4995695 0.80 CDC7 (0.52) CDC7TDP2PIM1PIM2
SCHEMBL4991763 0.80 CDC7 (0.52) CDC7KMT2AALDH1A1KDM4EGAA
SCHEMBL4996834 0.80 CDC7 (0.54) CDC7NPC1RAB9APKMKMT2A
SCHEMBL4999721 0.80 CDC7 (0.54) CDC7NPC1RAB9APKMKMT2A
SCHEMBL4991458 0.80 CDC7 (0.54) CDC7KMT2AALDH1A1KDM4EGAA

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.