SCHEMBL4996816

SCHEMBL4996816

O=C(COc1ccc(Br)cc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 5/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL4994626 0.92 LMNA (0.44) LMNAKMT2AALDH1A1MEN1HTT
SCHEMBL4997109 0.91 HTT (0.42) LMNAKMT2AALDH1A1MEN1HTT
SCHEMBL5002372 0.89 NPC1 (0.44) LMNAKMT2AALDH1A1MEN1HTT
SCHEMBL4994003 0.86 CDC7 (0.40)
SCHEMBL4991802 0.85 LMNA (0.50) LMNAKMT2AALDH1A1MEN1HPGD
SCHEMBL4999586 0.85 DHODH (0.52) LMNAKMT2AALDH1A1MEN1DHODH
SCHEMBL4996554 0.84 CDC7 (0.40) KMT2AALDH1A1MEN1HPGDSMN1; SMN2
SCHEMBL4999676 0.84 KMT2A (0.48) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4999618 0.83 ALDH1A1 (0.50) LMNAKMT2AALDH1A1HTTPOLB
SCHEMBL4997306 0.83 ALDH1A1 (0.48) LMNAKMT2AALDH1A1MEN1HPGD

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 LMNA 4243/4885KMT2A 1490/4885ALDH1A1 4153/4885

“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.