SCHEMBL4996822

SCHEMBL4996822

CCc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.43
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PRNP P04156 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.34
MAPKAPK2 P49137 3/20 0.34
BUB1 O43683 1/20 0.34
RPS6KA2 Q15349 3/20 0.33
KDR P35968 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL4994575 0.88 CDC7 (0.44) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL5002531 0.88 CDC7 (0.44) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4996380 0.86 CDC7 (0.44) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4986718 0.85 CTSS (0.43) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL5002412 0.84 MEN1 (0.58) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL14188491 0.84 CDC7 (0.47) CDC7PIM1PIM2MAPKAPK2
SCHEMBL5000603 0.83 CDC7 (0.40) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4996328 0.82 FYN (0.46) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4997280 0.81 CDC7 (0.51) CDC7KMT2AKDM4EMEN1PRNP
SCHEMBL4994849 0.81 CDC7 (0.44) CDC7KDM4EGAAPIM1PIM2

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 1490/4885KDM4E 2647/4885

“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.