SCHEMBL4991126

SCHEMBL4991126

O=C1NCCn2nc(-c3ccnc(-c4cc(Br)cc(Br)c4OCc4ccccc4Cl)n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.37
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PTP4A3 O75365 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
PTGER1 P34995 2/20 0.32
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4993275 0.88 CDC7 (0.39) CDC7MAPTPIM1PIM2GAA
SCHEMBL5002384 0.88 SLC6A4 (0.42) CDC7MAPTSMN1; SMN2PIM1PIM2
SCHEMBL4995813 0.85 CDC7 (0.40) CDC7MAPTSMN1; SMN2PIM1PIM2
SCHEMBL4994984 0.84 CYP1A2 (0.40) CDC7MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4993022 0.83 SMN1; SMN2 (0.40) CDC7MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4997282 0.83 CDC7 (0.40) CDC7PIM1PIM2
SCHEMBL4997108 0.82 CDC7 (0.43) CDC7PIM1PIM2ALDH1A1GAA
SCHEMBL4999662 0.80 CDC7 (0.41) CDC7PIM1PIM2
SCHEMBL5002470 0.80 SMN1; SMN2 (0.39) CDC7MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4992051 0.79 CDC7 (0.49) CDC7MAPTPIM1PIM2ALDH1A1

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 487/4885MAPT 1363/4885SMN1; SMN2 3576/4885

“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.