SCHEMBL2228307

SCHEMBL2228307

Cc1coc(-c2cccc(C)c2Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.39
ENPP1 P22413 2/20 0.39
TGFBR1 P36897 1/20 0.36
PDE4B Q07343 2/20 0.35
NPC1 O15118 7/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 2/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL17068993 0.82 RAB9A (0.53) ENPP3ENPP1TGFBR1NPC1RAB9A
SCHEMBL21083458 0.79 HDAC1 (0.54) ENPP3ENPP1TGFBR1NPC1RAB9A
SCHEMBL14305050 0.72 ALDH1A1 (0.52) ENPP3ENPP1TGFBR1PDE4BNPC1
SCHEMBL16933963 0.72 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL5539380 0.71 NPC1 (0.50) TGFBR1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL28279482 0.71 ALDH1A1 (0.43) ENPP3ENPP1TGFBR1PDE4BNPC1
SCHEMBL17544821 0.71 PDE4B (0.53) TGFBR1PDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL24181630 0.70 TGFBR1 (0.37) ENPP3ENPP1TGFBR1PDE4BHDAC1
SCHEMBL1200783 0.70 CCR1 (0.44) ENPP3ENPP1TGFBR1PDE4BRAB9A
SCHEMBL14528592 0.69 MAPK13 (0.49) NPC1RAB9ASMN1; SMN2TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B ENPP3 1324/4885ENPP1 1346/4885TGFBR1 1168/4885

“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.