SCHEMBL4994640

SCHEMBL4994640

O=C(c1ccc(Br)cc1)c1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
MAPKAPK2 P49137 3/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PRNP P04156 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAP4K4 O95819 1/20 0.33
MAPT P10636 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 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
SCHEMBL4996811 0.94 CDC7 (0.54) CDC7MEN1KMT2ASMN1; SMN2MAPKAPK2
SCHEMBL4999920 0.91 CDC7 (0.44) CDC7MEN1KMT2ASMN1; SMN2MAPKAPK2
SCHEMBL4991418 0.91 CDC7 (0.49) CDC7MEN1KMT2ASMN1; SMN2MAPKAPK2
SCHEMBL14188510 0.90 CDC7 (0.48) CDC7MEN1KMT2ASMN1; SMN2MAPKAPK2
SCHEMBL4997324 0.87 CDC7 (0.44) CDC7MEN1KMT2ASMN1; SMN2MAPKAPK2
SCHEMBL4991763 0.87 CDC7 (0.52) CDC7MEN1KMT2AMAPKAPK2PIM1
SCHEMBL4996904 0.87 CDC7 (0.46) CDC7MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4997344 0.86 CDC7 (0.51) CDC7MEN1KMT2AMAPKAPK2PIM1
SCHEMBL4996859 0.86 CDC7 (0.51) CDC7MEN1KMT2AMAPKAPK2PIM1
SCHEMBL4991587 0.85 CDC7 (0.48) CDC7MEN1KMT2ASMN1; SMN2MAPKAPK2

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.