SCHEMBL4996176

SCHEMBL4996176

O=C1NCCn2nc(-c3ccnc(-c4nc5ccccc5s4)c3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.54
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.42
MAPKAPK2 P49137 2/20 0.42
P2RY6 Q15077 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TDP2 O95551 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
CYP19A1 P11511 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL5002603 0.83 CDC7 (0.46) CDC7KDM4ENPC1RAB9AALDH1A1
SCHEMBL4994454 0.81 CDC7 (0.65) CDC7KDM4ENPC1RAB9AMAPKAPK2
SCHEMBL4718561 0.80 MAPKAPK2 (0.63) CDC7MAPKAPK2PIM1PIM2TDP2
SCHEMBL4992810 0.79 CDC7 (0.60) CDC7ALDH1A1MAPKAPK2PIM1PIM2
SCHEMBL4997535 0.79 CDC7 (0.54) CDC7KDM4ENPC1RAB9AALDH1A1
SCHEMBL5002274 0.77 CDC7 (0.56) CDC7NPC1RAB9AMAPKAPK2PIM1
SCHEMBL4995845 0.76 CDC7 (0.58) CDC7MAPKAPK2PIM1PIM2MAPK1
SCHEMBL4990895 0.76 CDC7 (0.58) CDC7NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4996496 0.76 CDC7 (0.55) CDC7MAPKAPK2PIM1PIM2
SCHEMBL4994406 0.76 CDC7 (0.61) CDC7ALDH1A1MAPKAPK2PIM1PIM2

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 487/4885KDM4E 2647/4885NPC1 3564/4885

“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.