SCHEMBL6084909

SCHEMBL6084909

CCS(=O)(=O)c1ccc2oc(-c3c[nH]nc3-c3cccc(NC(=O)c4cnn(-c5ccccc5)c4C)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 11/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CETP P11597 1/20 0.44
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK1 Q13464 1/20 0.42
NAMPT P43490 1/20 0.41
PARP1 P09874 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CYP1A2 P05177 1/20 0.40
AHR P35869 1/20 0.40
UTRN P46939 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6084921 0.85 CETP (0.49) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6084890 0.82 RAB9A (0.55) NPC1RAB9APOLBCETPPKM
SCHEMBL6085938 0.82 CETP (0.50) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6085768 0.81 CETP (0.49) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6085596 0.80 CETP (0.48) RAB9APOLBMEN1KMT2ACETP
SCHEMBL6087087 0.79 CETP (0.45) NPC1RAB9APOLBCETPSMN1; SMN2
SCHEMBL6085503 0.78 TP53 (0.46) CETPCYP1A2AHRUTRNHDAC6
SCHEMBL6085871 0.77 CETP (0.49) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6085790 0.77 TP53 (0.40) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6084877 0.75 RAB9A (0.52) NPC1RAB9APOLBMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US claimed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US disclosed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP disclosed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US disclosed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO 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-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 NPC1 4031/4885RAB9A 2584/4885POLB 1679/4885

“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.