SCHEMBL4996554

SCHEMBL4996554

NC(=O)COc1ccc(Br)cc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AGPAT2 O15120 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL4991393 0.87 CDC7 (0.43) CDC7PIM1PIM2PTGDR2MEN1
SCHEMBL14188647 0.87 CDC7 (0.42) CDC7PIM1PIM2AGPAT2KMT2A
SCHEMBL5002372 0.86 NPC1 (0.44) CDC7POLBHSD17B10PTGDR2MEN1
SCHEMBL14188680 0.85 CDC7 (0.41) CDC7HSD17B10PIM1PIM2HPGD
SCHEMBL5000426 0.85 CDC7 (0.44) CDC7POLBUSP2PIM1PIM2
SCHEMBL14188681 0.85 CDC7 (0.40) CDC7HSD17B10PIM1PIM2HPGD
SCHEMBL4996816 0.84 LMNA (0.43) POLBMEN1KMT2AHPGDPKM
SCHEMBL4997306 0.84 ALDH1A1 (0.48) POLBHSD17B10MEN1KMT2AHPGD
SCHEMBL4994003 0.84 CDC7 (0.40) CDC7CYP2C9PTGER1
SCHEMBL4999913 0.83 CDC7 (0.42) CDC7PIM1PIM2

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 487/4885POLB 3094/4885USP2 1873/4885

“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.