SCHEMBL1619976

SCHEMBL1619976

CC(=O)Nc1nc2cccc(Br)c2s1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63
DYRK1A Q13627 15/20 0.60
ADORA1 P30542 1/20 0.60
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
PIK3CG P48736 1/20 0.48
CLK1 P49759 1/20 0.48
FSCN1 Q16658 1/20 0.48
PDPK1 O15530 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3141935 0.82 DYRK1A (0.56) MEN1POLBKMT2ADYRK1AADORA1
SCHEMBL8088920 0.81 MEN1 (0.63) MEN1POLBKMT2ADYRK1AADORA1
SCHEMBL18202840 0.81 NPC1 (0.54) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL2624078 0.80 LCK (0.57) MEN1POLBKMT2ARAB9A
SCHEMBL14807397 0.80 NPC1 (0.62) MEN1KMT2AADORA1NPC1RAB9A
SCHEMBL25336208 0.80 DYRK1A (0.57) MEN1POLBKMT2ADYRK1AADORA1
SCHEMBL29682150 0.80 DYRK1A (0.57) MEN1POLBKMT2ADYRK1AADORA1
SCHEMBL3145537 0.80 DYRK1A (0.57) MEN1POLBKMT2ADYRK1AADORA1
SCHEMBL18038421 0.79 AKR1B1 (0.39) MEN1POLBKMT2ADYRK1AADORA1
SCHEMBL34471100 0.79 KMT2A (0.57) MEN1POLBKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US 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
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US 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
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 1100/4885POLB 1817/4885KMT2A 3276/4885

“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.