SCHEMBL1620283

SCHEMBL1620283

O=C1CCCN1CCOc1cncc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
PDK2 Q15119 4/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CYP11B2 P19099 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2935953 0.77 CHRNB2 (0.57) POLBCHRNB2CHRNA4
SCHEMBL4094159 0.76 POLB (0.57) MEN1KMT2ASMN1; SMN2POLBPDK2
SCHEMBL2933385 0.76 CHRNB2 (0.56) MEN1KMT2APOLBCHRNB2CHRNA4
SCHEMBL15262288 0.76 POLB (0.53) MEN1KMT2APOLBPDK2CCNC
SCHEMBL1926584 0.75 KMT2A (0.52) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL15716363 0.74 POLB (0.48) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL14778515 0.73 KMT2A (0.51) MEN1KMT2AHTTSMN1; SMN2CYP11B2
SCHEMBL15884247 0.73 L3MBTL1 (0.54) MEN1KMT2ACHRNB2CHRNA4
SCHEMBL23640346 0.73 POLB (0.71) MEN1KMT2ASMN1; SMN2POLBPDK2
SCHEMBL14779252 0.73 CHRNB2 (0.46) POLBPDK2CHRNB2CHRNA4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B MEN1 1100/4885KMT2A 3276/4885HTT 4580/4885

“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.